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Dimethyl Diazomalonate

  1. James E. Audia1,
  2. James J. Droste1,
  3. Vladimir Gevorgyan2,
  4. Michael Rubin2,
  5. Wai-Wing Chan3,
  6. Wing-Yiu Yu3

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rd323.pub3

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Audia, J. E., Droste, J. J., Gevorgyan, V., Rubin, M., Chan, W.-W. and Yu, W.-Y. 2013. Dimethyl Diazomalonate. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. 1

    Eli Lilly & Company, Indianapolis, IN, USA

  2. 2

    University of Illinois at Chicago, Chicago, IL, USA

  3. 3

    The Hong Kong Polytechnic University, Hung Hom, Hong Kong

Publication History

  1. Published Online: 16 SEP 2013

Featured Compounds

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  1. 1 - 186
Compound Information
Drug synonym:Not Available
Molecular Weight:158.1121
Molecular Formula:C5H6N2O4
SMILES:COC(=O)C(=[N+]=[N-])C(=O)OC
InChI:1S/C5H6N2O4/c1-10-4(8)3(7-6)5(9)11-2/h1-2H3
InChIKey:UFAZHCVBGMSJHS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:82.1436
Molecular Formula:C6H10
SMILES:C1CCC=CC1
InChI:1S/C6H10/c1-2-4-6-5-3-1/h1-2H,3-6H2
InChIKey:HGCIXCUEYOPUTN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:212.2423
Molecular Formula:C11H16O4
SMILES:COC(=O)C1(C2CCCCC12)C(=O)OC
InChI:1S/C11H16O4/c1-14-9(12)11(10(13)15-2)7-5-3-4-6-8(7)11/h7-8H,3-6H2,1-2H3
InChIKey:NKYDQIONNPENJX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:124.0755
Molecular Formula:C3H9O3P
SMILES:COP(OC)OC
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:190.45
Molecular Formula:CuI
SMILES:[Cu+].[I-]
InChI:1S/Cu.HI/h;1H/q+1;/p-1
InChIKey:LSXDOTMGLUJQCM-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:143.45
Molecular Formula:BrCu
SMILES:[Cu+].[Br-]
InChI:1S/BrH.Cu/h1H;/q;+1/p-1
InChIKey:NKNDPYCGAZPOFS-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:68.117
Molecular Formula:C5H8
SMILES:CC(C)=C=C
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:198.2158
Molecular Formula:C10H14O4
SMILES:COC(=O)C1(CC1=C(C)C)C(=O)OC
InChI:1S/C10H14O4/c1-6(2)7-5-10(7,8(11)13-3)9(12)14-4/h5H2,1-4H3
InChIKey:GZRLJLDTVATQOL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:441.9871
Molecular Formula:C8H12O8Rh2
SMILES:[Rh++].[Rh++].CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O
InChI:1S/4C2H4O2.2Rh/c4*1-2(3)4;;/h4*1H3,(H,3,4);;/q;;;;2*+2/p-4
InChIKey:SYBXSZMNKDOUCA-UHFFFAOYSA-J
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Compound Information
Drug synonym:Not Available
Molecular Weight:96.1702
Molecular Formula:C7H12
SMILES:C=C1CCCCC1
InChI:1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
InChIKey:YULMNMJFAZWLLN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:294.3859
Molecular Formula:C17H26O4
SMILES:COC(=O)C1(CC(=C(C)C)C2(C1)CCCCC2)C(=O)OC
InChI:1S/C17H26O4/c1-12(2)13-10-17(14(18)20-3,15(19)21-4)11-16(13)8-6-5-7-9-16/h5-11H2,1-4H3
InChIKey:FHGKBFJKPNONMM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.359
Molecular Formula:C8H18S2
SMILES:CCCCSSCCCC
InChI:1S/C8H18S2/c1-3-5-7-9-10-8-6-4-2/h3-8H2,1-2H3
InChIKey:CUDSBWGCGSUXDB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:103.1213
Molecular Formula:C7H5N
SMILES:N#CC1=CC=CC=C1
InChI:1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H
InChIKey:JFDZBHWFFUWGJE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:233.22
Molecular Formula:C12H11NO4
SMILES:[CH3:1][O:2][C:3](=[O:5])[C:4]1=[C:6]([O:7][CH3:9])[O:8][C:16](=[N:17]1)[C:14]1=[CH:15][CH:10]=[CH:11][CH:12]=[CH:13]1
InChI:1S/C12H11NO4/c1-15-11(14)9-12(16-2)17-10(13-9)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKey:KEINDUWFIWFMLM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:40.0639
Molecular Formula:C3H4
SMILES:CC#C
InChI:1S/C3H4/c1-3-2/h1H,2H3
InChIKey:MWWATHDPGQKSAR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:170.1626
Molecular Formula:C8H10O4
SMILES:COC(=O)C1=C(OC)OC=C1C
InChI:1S/C8H10O4/c1-5-4-12-8(11-3)6(5)7(9)10-2/h4H,1-3H3
InChIKey:WCZVDJLCZCFPDO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:182.2179
Molecular Formula:C13H10O
SMILES:O=C(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey:RWCCWEUUXYIKHB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.1696
Molecular Formula:C7H12O
SMILES:COC1=CCCCC1
InChI:1S/C7H12O/c1-8-7-5-3-2-4-6-7/h5H,2-4,6H2,1H3
InChIKey:HZFQGYWRFABYSR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:242.2683
Molecular Formula:C12H18O5
SMILES:COC(=O)C(C1CCCC=C1OC)C(=O)OC
InChI:1S/C12H18O5/c1-15-9-7-5-4-6-8(9)10(11(13)16-2)12(14)17-3/h7-8,10H,4-6H2,1-3H3
InChIKey:PKNVMVGVZDTJNR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.191
Molecular Formula:C9H12O
SMILES:CC1=COC2=C1CCCC2
InChI:1S/C9H12O/c1-7-6-10-9-5-3-2-4-8(7)9/h6H,2-5H2,1H3
InChIKey:ZQQRACBGKBCNQT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:23.99771
Molecular Formula:HNa
SMILES:[Na][H]
InChI:1S/Na.H
InChIKey:MPMYQQHEHYDOCL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:37.954
Molecular Formula:AlH4Li
SMILES:[Li+].[H][Al-]([H])([H])[H]
InChI:1S/Al.Li.4H/q-1;+1;;;;
InChIKey:OCZDCIYGECBNKL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:18.0153
Molecular Formula:H2O
SMILES:[H]O[H]
InChI:1S/H2O/h1H2
InChIKey:XLYOFNOQVPJJNP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.2227
Molecular Formula:C9H16O
SMILES:CCOC=C1CCCCC1
InChI:1S/C9H16O/c1-2-10-8-9-6-4-3-5-7-9/h8H,2-7H2,1H3
InChIKey:XFBWOMHYIUMVCY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:270.3215
Molecular Formula:C14H22O5
SMILES:CCOC1C2(CCCCC2)C1(C(=O)OC)C(=O)OC
InChI:1S/C14H22O5/c1-4-19-10-13(8-6-5-7-9-13)14(10,11(15)17-2)12(16)18-3/h10H,4-9H2,1-3H3
InChIKey:NTQOZWQNWCSZJI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.217
Molecular Formula:C10H14O2
SMILES:C=C1COC(=O)C11CCCCC1
InChI:1S/C10H14O2/c1-8-7-12-9(11)10(8)5-3-2-4-6-10/h1-7H2
InChIKey:OXRDZDXBGPMUIT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:72.1057
Molecular Formula:C4H8O
SMILES:C1CCOC1
InChI:1S/C4H8O/c1-2-4-5-3-1/h1-4H2
InChIKey:WYURNTSHIVDZCO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:99.9943
Molecular Formula:CrO3
SMILES:O=[Cr](=O)=O
InChI:1S/Cr.3O
InChIKey:WGLPBDUCMAPZCE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.209
Molecular Formula:C6H10S
SMILES:C=CC1CCCS1
InChI:1S/C6H10S/c1-2-6-4-3-5-7-6/h2,6H,1,3-5H2
InChIKey:YQGVJKSRGWEXGU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:244.307
Molecular Formula:C11H16O4S
SMILES:COC(=O)C1(C\C=C/CCCS1)C(=O)OC
InChI:1S/C11H16O4S/c1-14-9(12)11(10(13)15-2)7-5-3-4-6-8-16-11/h3,5H,4,6-8H2,1-2H3/b5-3-
InChIKey:HQWPVXPGUYFXCT-HYXAFXHYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:63.546
Molecular Formula:Cu
SMILES:[Cu]
InChI:1S/Cu
InChIKey:RYGMFSIKBFXOCR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:129.18
Molecular Formula:C5H7NOS
SMILES:CCN1SC=CC1=O
InChI:1S/C5H7NOS/c1-2-6-5(7)3-4-8-6/h3-4H,2H2,1H3
InChIKey:ASKFWACWQQZSSS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:259.279
Molecular Formula:C10H13NO5S
SMILES:CCN1C(=O)C=CSC1(C(=O)OC)C(=O)OC
InChI:1S/C10H13NO5S/c1-4-11-7(12)5-6-17-10(11,8(13)15-2)9(14)16-3/h5-6H,4H2,1-3H3
InChIKey:JONPEEUROOFYNN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:483.494
Molecular Formula:C23H21N3O7S
SMILES:[O-][N+](=O)C1=CC=C(COC(=O)[C@@H]2N3C(SCC2=C)[C@H](NC(=O)COC2=CC=CC=C2)C3=O)C=C1
InChI:1S/C23H21N3O7S/c1-14-13-34-22-19(24-18(27)12-32-17-5-3-2-4-6-17)21(28)25(22)20(14)23(29)33-11-15-7-9-16(10-8-15)26(30)31/h2-10,19-20,22H,1,11-13H2,(H,24,27)/t19-,20-,22?/m1/s1
InChIKey:MZKSQCTZOTWZHP-JLMWTWJWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:613.592
Molecular Formula:C28H27N3O11S
SMILES:[H][C@]12SC(CC(=C)[C@@H](N1C(=O)[C@H]2NC(=O)COC1=CC=CC=C1)C(=O)OCC1=CC=C(C=C1)[N+]([O-])=O)(C(=O)OC)C(=O)OC
InChI:1S/C28H27N3O11S/c1-16-13-28(26(35)39-2,27(36)40-3)43-24-21(29-20(32)15-41-19-7-5-4-6-8-19)23(33)30(24)22(16)25(34)42-14-17-9-11-18(12-10-17)31(37)38/h4-12,21-22,24H,1,13-15H2,2-3H3,(H,29,32)/t21-,22-,24-/m1/s1
InChIKey:ZSKXRBVPXHTXLB-CQOQZXRMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:159.609
Molecular Formula:CuO4S
SMILES:[Cu++].[O-]S([O-])(=O)=O
InChI:1S/Cu.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
InChIKey:ARUVKPQLZAKDPS-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.1265
Molecular Formula:C6H8O2
SMILES:O=C1CCCC2OC12
InChI:1S/C6H8O2/c7-4-2-1-3-5-6(4)8-5/h5-6H,1-3H2
InChIKey:QKOHEJBTNOEACF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:96.1271
Molecular Formula:C6H8O
SMILES:O=C1CCCC=C1
InChI:1S/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
InChIKey:FWFSEYBSWVRWGL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:250.357
Molecular Formula:C14H18O2S
SMILES:C[C@H](C[C@H]1CCC(=S)O1)OCC1=CC=CC=C1
InChI:1S/C14H18O2S/c1-11(9-13-7-8-14(17)16-13)15-10-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13-/m1/s1
InChIKey:YIGSHSRJZIHAIR-DGCLKSJQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:348.3903
Molecular Formula:C19H24O6
SMILES:COC(=O)C(C(=O)OC)=C1CC[C@H](C[C@@H](C)OCC2=CC=CC=C2)O1
InChI:1S/C19H24O6/c1-13(24-12-14-7-5-4-6-8-14)11-15-9-10-16(25-15)17(18(20)22-2)19(21)23-3/h4-8,13,15H,9-12H2,1-3H3/t13-,15-/m1/s1
InChIKey:GZVVESPWHCSZIM-UKRRQHHQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.2334
Molecular Formula:C10H16O
SMILES:CC(C)=CCC\C(C)=C/C=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:266.3328
Molecular Formula:C15H22O4
SMILES:COC(=O)C(=C\C=C(/C)CCC=C(C)C)C(=O)OC
InChI:1S/C15H22O4/c1-11(2)7-6-8-12(3)9-10-13(14(16)18-4)15(17)19-5/h7,9-10H,6,8H2,1-5H3/b12-9+
InChIKey:WYFGQYSJOSWSPB-FMIVXFBMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:293.1
Molecular Formula:C12H27Sb
SMILES:CCCC[Sb](CCCC)CCCC
InChI:1S/3C4H9.Sb/c3*1-3-4-2;/h3*1,3-4H2,2H3;
InChIKey:BXJWDOYMROEHEN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:C6H10O
SMILES:OC1CCCC=C1
InChI:1S/C6H10O/c7-6-4-2-1-3-5-6/h2,4,6-7H,1,3,5H2
InChIKey:PQANGXXSEABURG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:228.2417
Molecular Formula:C11H16O5
SMILES:COC(=O)C(OC1CCCC=C1)C(=O)OC
InChI:1S/C11H16O5/c1-14-10(12)9(11(13)15-2)16-8-6-4-3-5-7-8/h4,6,8-9H,3,5,7H2,1-2H3
InChIKey:CNBRUCAVLCGQFA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:154.2063
Molecular Formula:C9H14O2
SMILES:CC(C)(C)OC(=O)[C@H]1CC1=C
InChI:1S/C9H14O2/c1-6-5-7(6)8(10)11-9(2,3)4/h7H,1,5H2,2-4H3/t7-/m0/s1
InChIKey:SVWPWCXEYKAXSR-ZETCQYMHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:284.305
Molecular Formula:C14H20O6
SMILES:COC(=O)C1(C[C@@]11C[C@@H]1C(=O)OC(C)(C)C)C(=O)OC
InChI:1S/C14H20O6/c1-12(2,3)20-9(15)8-6-13(8)7-14(13,10(16)18-4)11(17)19-5/h8H,6-7H2,1-5H3/t8-,13-/m1/s1
InChIKey:PPSCWMFBQVAJML-AMIZOPFISA-N
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Compound Information
Drug synonym:methylene chloride, methylene dichloride
Molecular Weight:84.933
Molecular Formula:CH2Cl2
SMILES:ClCCl
InChI:1S/CH2Cl2/c2-1-3/h1H2
InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:718.2352
Molecular Formula:C20H24N4O12Rh2
SMILES:COC(=O)[C@@H]1CC(=O)N1[Rh]N1[C@@H](CC1=O)C(=O)OC.COC(=O)[C@@H]1CC(=O)N1[Rh]N1[C@@H](CC1=O)C(=O)OC
InChI:1S/4C5H7NO3.2Rh/c4*1-9-5(8)3-2-4(7)6-3;;/h4*3H,2H2,1H3,(H,6,7);;/q;;;;2*+2/p-4/t4*3-;;/m0000../s1
InChIKey:JHTCYYXMMBICCX-AABFXYGWSA-J
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:156.136
Molecular Formula:C7H8O4
SMILES:[H]C1=CC1(C(=O)OC)C(=O)OC
InChI:1S/C7H8O4/c1-10-5(8)7(3-4-7)6(9)11-2/h3-4H,1-2H3
InChIKey:CLDZRXICMRURBY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.2055
Molecular Formula:CK2O3
SMILES:[K+].[K+].[O-]C([O-])=O
InChI:1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
InChIKey:BWHMMNNQKKPAPP-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:18.0153
Molecular Formula:H2O
SMILES:[H]O[H]
InChI:1S/H2O/h1H2
InChIKey:XLYOFNOQVPJJNP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:78.1118
Molecular Formula:C6H6
SMILES:C1=CC=CC=C1
InChI:1S/C6H6/c1-2-4-6-5-3-1/h1-6H
InChIKey:UHOVQNZJYSORNB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:338.3093
Molecular Formula:C16H18O8
SMILES:[H][C@@]12C=C[C@]3([H])[C@]([H])([C@]1([H])C2(C(=O)OC)C(=O)OC)C3(C(=O)OC)C(=O)OC
InChI:1S/C16H18O8/c1-21-11(17)15(12(18)22-2)7-5-6-8-10(9(7)15)16(8,13(19)23-3)14(20)24-4/h5-10H,1-4H3/t7-,8-,9-,10-/m1/s1
InChIKey:OUUMWKSBCQUDJA-ZYUZMQFOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:131.1745
Molecular Formula:C9H9N
SMILES:CN1C=CC2=CC=CC=C12
InChI:1S/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H3
InChIKey:BLRHMMGNCXNXJL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:261.2732
Molecular Formula:C14H15NO4
SMILES:COC(=O)C(C(=O)OC)C1=CN(C)C2=CC=CC=C12
InChI:1S/C14H15NO4/c1-15-8-10(9-6-4-5-7-11(9)15)12(13(16)18-2)14(17)19-3/h4-8,12H,1-3H3
InChIKey:VRSRGASTGMOXJQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:199.2915
Molecular Formula:C14H17N
SMILES:CN1C=C(CCCC=C)C2=CC=CC=C12
InChI:1S/C14H17N/c1-3-4-5-8-12-11-15(2)14-10-7-6-9-13(12)14/h3,6-7,9-11H,1,4-5,8H2,2H3
InChIKey:PGSQZWFKMCVDDF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:329.3902
Molecular Formula:C19H23NO4
SMILES:COC(=O)C(C(=O)OC)C1=C(CCCC=C)C2=CC=CC=C2N1C
InChI:1S/C19H23NO4/c1-5-6-7-11-14-13-10-8-9-12-15(13)20(2)17(14)16(18(21)23-3)19(22)24-4/h5,8-10,12,16H,1,6-7,11H2,2-4H3
InChIKey:HWHCEBTZQCKNIT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.239
Molecular Formula:C12H14O
SMILES:CCC(=O)C(\C)=C\C1=CC=CC=C1
InChI:1S/C12H14O/c1-3-12(13)10(2)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9+
InChIKey:JBFFAKAIUSEHAZ-MDZDMXLPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:304.3377
Molecular Formula:C17H20O5
SMILES:CCC1=C(C)C(C2=CC=CC=C2)C(O1)(C(=O)OC)C(=O)OC
InChI:1S/C17H20O5/c1-5-13-11(2)14(12-9-7-6-8-10-12)17(22-13,15(18)20-3)16(19)21-4/h6-10,14H,5H2,1-4H3
InChIKey:OKOWNZPILWERFR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:261.762
Molecular Formula:C10H14CuO4
SMILES:[Cu++].C\C([O-])=C\C(C)=O.C\C([O-])=C\C(C)=O
InChI:1S/2C5H8O2.Cu/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;
InChIKey:QYJPSWYYEKYVEJ-FDGPNNRMSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:208.2121
Molecular Formula:C14H8O2
SMILES:O=C1C(=O)C2=C(C=CC=C2)C2=C1C=CC=C2
InChI:1S/C14H8O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16/h1-8H
InChIKey:YYVYAPXYZVYDHN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:120.1485
Molecular Formula:C8H8O
SMILES:[H]C(=O)C1=CC=C(C)C=C1
InChI:1S/C8H8O/c1-7-2-4-8(6-9)5-3-7/h2-6H,1H3
InChIKey:FXLOVSHXALFLKQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:458.4594
Molecular Formula:C27H22O7
SMILES:[H][C@@]1(OC(C(=O)OC)(C(=O)OC)[C@@]2(O1)C(=O)C1=C(C=CC=C1)C1=C2C=CC=C1)C1=CC=C(C)C=C1
InChI:1S/C27H22O7/c1-16-12-14-17(15-13-16)23-33-26(27(34-23,24(29)31-2)25(30)32-3)21-11-7-6-9-19(21)18-8-4-5-10-20(18)22(26)28/h4-15,23H,1-3H3/t23-,26+/m1/s1
InChIKey:XAIFXQROXSYMIY-BVAGGSTKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:151.1195
Molecular Formula:C7H5NO3
SMILES:[H]C(=O)C1=CC=C(C=C1[H])[N+]([O-])=O
InChI:1S/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
InChIKey:BXRFQSNOROATLV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:432.3377
Molecular Formula:C19H16N2O10
SMILES:COC(=O)C1(OC(OC1C1=CC=C(C=C1)[N+]([O-])=O)C1=CC=C(C=C1)[N+]([O-])=O)C(=O)OC
InChI:1S/C19H16N2O10/c1-28-17(22)19(18(23)29-2)15(11-3-7-13(8-4-11)20(24)25)30-16(31-19)12-5-9-14(10-6-12)21(26)27/h3-10,15-16H,1-2H3
InChIKey:PHEICXCFQFRDRW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:119.1638
Molecular Formula:C8H9N
SMILES:C\N=C\C1=CC=CC=C1
InChI:1S/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKey:HXTGGPKOEKKUQO-VQHVLOKHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:368.4263
Molecular Formula:C21H24N2O4
SMILES:COC(=O)C1(C(N(C)C(N1C)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC
InChI:1S/C21H24N2O4/c1-22-17(15-11-7-5-8-12-15)21(19(24)26-3,20(25)27-4)23(2)18(22)16-13-9-6-10-14-16/h5-14,17-18H,1-4H3
InChIKey:SVHYIVIGMIVSSZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:106.1219
Molecular Formula:C7H6O
SMILES:[H]C(=O)C1=CC=CC=C1
InChI:1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey:HUMNYLRZRPPJDN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:355.3844
Molecular Formula:C20H21NO5
SMILES:COC(=O)C1([C@H](O[C@@H](N1C)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC
InChI:1S/C20H21NO5/c1-21-17(15-12-8-5-9-13-15)26-16(14-10-6-4-7-11-14)20(21,18(22)24-2)19(23)25-3/h4-13,16-17H,1-3H3/t16-,17-/m1/s1
InChIKey:BIWHXTCPVDYCQE-IAGOWNOFSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:196.269
Molecular Formula:C9H12N2OS
SMILES:N#CC1=C(CSC1)N1CCOCC1
InChI:1S/C9H12N2OS/c10-5-8-6-13-7-9(8)11-1-3-12-4-2-11/h1-4,6-7H2
InChIKey:PZMWDCDZUBMZJP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:326.368
Molecular Formula:C14H18N2O5S
SMILES:COC(=O)C1(CC(C#N)=C(CS1)N1CCOCC1)C(=O)OC
InChI:1S/C14H18N2O5S/c1-19-12(17)14(13(18)20-2)7-10(8-15)11(9-22-14)16-3-5-21-6-4-16/h3-7,9H2,1-2H3
InChIKey:CQKNTJPWVDOQRS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:193.2438
Molecular Formula:C14H11N
SMILES:C1=CC=C(C=C1)C1N=C1C1=CC=CC=C1
InChI:1S/C14H11N/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13H
InChIKey:GSIWSQWJNJISAA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:323.3426
Molecular Formula:C19H17NO4
SMILES:COC(=O)C1(N=C(C1C1=CC=CC=C1)C1=CC=CC=C1)C(=O)OC
InChI:1S/C19H17NO4/c1-23-17(21)19(18(22)24-2)15(13-9-5-3-6-10-13)16(20-19)14-11-7-4-8-12-14/h3-12,15H,1-2H3
InChIKey:IPVKDRNHMUSPKF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:254.23
Molecular Formula:O4Os
SMILES:O=[Os](=O)(=O)=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:117.1463
Molecular Formula:C5H11NO2
SMILES:C[N+]1([O-])CCOCC1
InChI:1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3
InChIKey:LFTLOKWAGJYHHR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.212
Molecular Formula:C4H9KO
SMILES:[K+].CC(C)(C)[O-]
InChI:1S/C4H9O.K/c1-4(2,3)5;/h1-3H3;/q-1;+1
InChIKey:LPNYRYFBWFDTMA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:778.625
Molecular Formula:C32H60O8Rh2
SMILES:CCCCCCCC(=O)O[Rh]OC(=O)CCCCCCC.CCCCCCCC(=O)O[Rh]OC(=O)CCCCCCC
InChI:1S/4C8H16O2.2Rh/c4*1-2-3-4-5-6-7-8(9)10;;/h4*2-7H2,1H3,(H,9,10);;/q;;;;2*+2/p-4
InChIKey:FZXFNYFVNKTQSX-UHFFFAOYSA-J
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Compound Information
Drug synonym:Not Available
Molecular Weight:347.4965
Molecular Formula:C23H29N3
SMILES:C(CC1=C2NC3=C(C=CC=C3)C2=CC=N1)N1CCCC\C=C/CCCC1
InChI:1S/C23H29N3/c1-2-4-6-10-17-26(16-9-5-3-1)18-14-22-23-20(13-15-24-22)19-11-7-8-12-21(19)25-23/h1-2,7-8,11-13,15,25H,3-6,9-10,14,16-18H2/b2-1-
InChIKey:LUYZVPNPJGYOIP-UPHRSURJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.2044
Molecular Formula:C9H12N2O
SMILES:N#CC1=C(OCC1)N1CCCC1
InChI:1S/C9H12N2O/c10-7-8-3-6-12-9(8)11-4-1-2-5-11/h1-6H2
InChIKey:FCPIJIZZEAPIJD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:294.3031
Molecular Formula:C14H18N2O5
SMILES:COC(=O)C(C1COC(N2CCCC2)=C1C#N)C(=O)OC
InChI:1S/C14H18N2O5/c1-19-13(17)11(14(18)20-2)10-8-21-12(9(10)7-15)16-5-3-4-6-16/h10-11H,3-6,8H2,1-2H3
InChIKey:WDZXYZBQENIWGX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:442.4617
Molecular Formula:C23H26N2O7
SMILES:COC(=O)N1C2=CC=CC=C2[C@@]23CCN(CCCC45C[C@@](O)(C(=O)OC)[C@@]12CC4O5)C3=O
InChI:1S/C23H26N2O7/c1-30-18(27)22(29)13-20-8-5-10-24-11-9-21(17(24)26)14-6-3-4-7-15(14)25(19(28)31-2)23(21,22)12-16(20)32-20/h3-4,6-7,16,29H,5,8-13H2,1-2H3/t16?,20?,21-,22-,23+/m1/s1
InChIKey:DNUGQJNGHKYTLF-SHBCNOJOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:556.5611
Molecular Formula:C28H32N2O10
SMILES:COC(=O)C([C@H]1CCC2=CC[C@@]3(N(C(=O)OC)C4=CC=CC=C4[C@@]33CCN1C3=O)[C@@](O)(C2)C(=O)OC)C(=O)OC
InChI:1S/C28H32N2O10/c1-37-21(31)20(22(32)38-2)19-10-9-16-11-12-28(27(36,15-16)24(34)39-3)26(13-14-29(19)23(26)33)17-7-5-6-8-18(17)30(28)25(35)40-4/h5-8,11,19-20,36H,9-10,12-15H2,1-4H3/t19-,26-,27-,28+/m1/s1
InChIKey:GRUFIZOFAYMIAK-HXCRNGOOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:181.3177
Molecular Formula:C12H23N
SMILES:[H]N(C1CCCCC1)C1CCCCC1
InChI:1S/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H2
InChIKey:XBPCUCUWBYBCDP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:311.4165
Molecular Formula:C17H29NO4
SMILES:COC(=O)C(N(C1CCCCC1)C1CCCCC1)C(=O)OC
InChI:1S/C17H29NO4/c1-21-16(19)15(17(20)22-2)18(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h13-15H,3-12H2,1-2H3
InChIKey:DPLGIGFYJMDZDJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:262.2855
Molecular Formula:C18H15P
SMILES:C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C18H15P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
InChIKey:RIOQSEWOXXDEQQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:253.80894
Molecular Formula:I2
SMILES:II
InChI:1S/I2/c1-2
InChIKey:PNDPGZBMCMUPRI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:101.19
Molecular Formula:C6H15N
SMILES:CCN(CC)CC
InChI:1S/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
InChIKey:ZMANZCXQSJIPKH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:185.0068
Molecular Formula:C3H8IN
SMILES:[I-].C[N+](C)=C
InChI:1S/C3H8N.HI/c1-4(2)3;/h1H2,2-3H3;1H/q+1;/p-1
InChIKey:VVDUZZGYBOWDSQ-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:141.939
Molecular Formula:CH3I
SMILES:CI
InChI:1S/CH3I/c1-2/h1H3
InChIKey:INQOMBQAUSQDDS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:258.3108
Molecular Formula:C13H22O5
SMILES:[H][C@@]1(COC(C)(C)O1)[C@@H](O)[C@]1([H])OC(C)(C)O[C@]1([H])C=C
InChI:1S/C13H22O5/c1-6-8-11(18-13(4,5)16-8)10(14)9-7-15-12(2,3)17-9/h6,8-11,14H,1,7H2,2-5H3/t8-,9-,10-,11-/m1/s1
InChIKey:ZQUFIYCCFZOXLJ-GWOFURMSSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:388.4095
Molecular Formula:C18H28O9
SMILES:[H][C@@]1(COC(C)(C)O1)[C@@H](OC(C(=O)OC)C(=O)OC)[C@]1([H])OC(C)(C)O[C@]1([H])C=C
InChI:1S/C18H28O9/c1-8-10-13(27-18(4,5)25-10)12(11-9-23-17(2,3)26-11)24-14(15(19)21-6)16(20)22-7/h8,10-14H,1,9H2,2-7H3/t10-,11-,12-,13-/m1/s1
InChIKey:WISZASZSHWHGRV-FDYHWXHSSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:342.3841
Molecular Formula:C17H26O7
SMILES:[H][C@@]1(COC(C)(C)O1)[C@@H](OC(=C)C(=O)OC)[C@]1([H])OC(C)(C)O[C@]1([H])C=C
InChI:1S/C17H26O7/c1-8-11-14(24-17(5,6)22-11)13(21-10(2)15(18)19-7)12-9-20-16(3,4)23-12/h8,11-14H,1-2,9H2,3-7H3/t11-,12-,13-,14-/m1/s1
InChIKey:HYTIWPMAJDXOHM-AAVRWANBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:223.358
Molecular Formula:C11H13NS2
SMILES:CC1(C)NC(SC1=S)C1=CC=CC=C1
InChI:1S/C11H13NS2/c1-11(2)10(13)14-9(12-11)8-6-4-3-5-7-8/h3-7,9,12H,1-2H3
InChIKey:VMJKINMXLZIMBJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:321.391
Molecular Formula:C16H19NO4S
SMILES:COC(=O)C(C(=O)OC)=C1SC(NC1(C)C)C1=CC=CC=C1
InChI:1S/C16H19NO4S/c1-16(2)12(11(14(18)20-3)15(19)21-4)22-13(17-16)10-8-6-5-7-9-10/h5-9,13,17H,1-4H3
InChIKey:IIXDKVQCQPWBGY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:204.311
Molecular Formula:C11H8S2
SMILES:S=C(C1=CC=CS1)C1=CC=CC=C1
InChI:1S/C11H8S2/c12-11(10-7-4-8-13-10)9-5-2-1-3-6-9/h1-8H
InChIKey:SOWJMLAUWAWEHG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:302.345
Molecular Formula:C16H14O4S
SMILES:COC(=O)C(C(=O)OC)=C(C1=CC=CS1)C1=CC=CC=C1
InChI:1S/C16H14O4S/c1-19-15(17)14(16(18)20-2)13(12-9-6-10-21-12)11-7-4-3-5-8-11/h3-10H,1-2H3
InChIKey:RQYXFEZNEQFJIE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:298.3331
Molecular Formula:C18H18O4
SMILES:COc1ccc(cc1)[C@@H]1Oc2cc(OC)cc(OC)c2C=C1
InChI:1S/C18H18O4/c1-19-13-6-4-12(5-7-13)16-9-8-15-17(21-3)10-14(20-2)11-18(15)22-16/h4-11,16H,1-3H3/t16-/m1/s1
InChIKey:AZHQYYZQRMOOGU-MRXNPFEDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.1919
Molecular Formula:C8H12N2O4
SMILES:COC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C
InChI:1S/C8H12N2O4/c1-8(2,3)14-7(12)5(10-9)6(11)13-4/h1-4H3
InChIKey:LNYWNGMUAGRMPG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:470.5116
Molecular Formula:C26H30O8
SMILES:COC(=O)[C@]1([C@@H]2[C@H]1c1c(OC)cc(OC)cc1O[C@H]2c1ccc(OC)cc1)C(=O)OC(C)(C)C
InChI:1S/C26H30O8/c1-25(2,3)34-24(28)26(23(27)32-7)20-19-17(31-6)12-16(30-5)13-18(19)33-22(21(20)26)14-8-10-15(29-4)11-9-14/h8-13,20-22H,1-7H3/t20-,21-,22+,26+/m1/s1
InChIKey:KNXOJACLCZHATM-CQAGSAPUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1447.365
Molecular Formula:C60H80N4O16Rh2S4
SMILES:[H][C@]1(CCCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C(=O)O[Rh]OC(=O)[C@]1([H])CCCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C.[H][C@]1(CCCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C)C(=O)O[Rh]OC(=O)[C@]1([H])CCCN1S(=O)(=O)C1=CC=C(C=C1)C(C)(C)C
InChI:1S/4C15H21NO4S.2Rh/c4*1-15(2,3)11-6-8-12(9-7-11)21(19,20)16-10-4-5-13(16)14(17)18;;/h4*6-9,13H,4-5,10H2,1-3H3,(H,17,18);;/q;;;;2*+2/p-4/t4*13-;;/m0000../s1
InChIKey:HVKPLPQGLBYKLH-WYIKOJPOSA-J
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Compound Information
Drug synonym:Not Available
Molecular Weight:414.4053
Molecular Formula:C22H22O8
SMILES:COC(=O)[C@@H]1[C@@H]2[C@H](OC1=O)c1c(OC)cc(OC)cc1O[C@H]2c1ccc(OC)cc1
InChI:1S/C22H22O8/c1-25-12-7-5-11(6-8-12)19-17-18(21(23)28-4)22(24)30-20(17)16-14(27-3)9-13(26-2)10-15(16)29-19/h5-10,17-20H,1-4H3/t17-,18-,19-,20+/m0/s1
InChIKey:NXUORRXWMCPABU-LWYYNNOASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:416.85
Molecular Formula:C2H2F6O6S2Sn
SMILES:[Sn++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F
InChI:1S/2CHF3O3S.Sn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
InChIKey:RBGLVWCAGPITBS-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:428.4319
Molecular Formula:C23H24O8
SMILES:COC(=O)C1([C@@H]2[C@H]1c1c(OC)cc(OC)cc1O[C@H]2c1ccc(OC)cc1)C(=O)OC
InChI:1S/C23H24O8/c1-26-13-8-6-12(7-9-13)20-19-18(23(19,21(24)29-4)22(25)30-5)17-15(28-3)10-14(27-2)11-16(17)31-20/h6-11,18-20H,1-5H3/t18-,19-,20+/m1/s1
InChIKey:HNVKTJZHLUKBSB-AQNXPRMDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:104.1491
Molecular Formula:C8H8
SMILES:C=CC1=CC=CC=C1
InChI:1S/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
InChIKey:PPBRXRYQALVLMV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:234.2479
Molecular Formula:C13H14O4
SMILES:COC(=O)C1(CC1C1=CC=CC=C1)C(=O)OC
InChI:1S/C13H14O4/c1-16-11(14)13(12(15)17-2)8-10(13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
InChIKey:HEDVHUQQVZUKBN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:758.4662
Molecular Formula:C32H40O8Rh2
SMILES:CC1(C)CC2=CC(CC(C)(C)C(=O)O[Rh]OC1=O)=CC=C2.CC1(C)CC2=CC(CC(C)(C)C(=O)O[Rh]OC1=O)=CC=C2
InChI:1S/2C16H22O4.2Rh/c2*1-15(2,13(17)18)9-11-6-5-7-12(8-11)10-16(3,4)14(19)20;;/h2*5-8H,9-10H2,1-4H3,(H,17,18)(H,19,20);;/q;;2*+2/p-4
InChIKey:AHCPGXZDVSBJII-UHFFFAOYSA-J
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Compound Information
Drug synonym:Not Available
Molecular Weight:234.2479
Molecular Formula:C13H14O4
SMILES:COC(=O)C1(C[C@H]1C1=CC=CC=C1)C(=O)OC
InChI:1S/C13H14O4/c1-16-11(14)13(12(15)17-2)8-10(13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m0/s1
InChIKey:HEDVHUQQVZUKBN-JTQLQIEISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:234.2479
Molecular Formula:C13H14O4
SMILES:[CH3:15][O:9][C:8](=[O:14])[C:5]1([CH2:2][C@@H:1]1[C:3]1=[CH:10][CH:16]=[CH:17][CH:11]=[CH:4]1)[C:6](=[O:12])[O:7][CH3:13]
InChI:1S/C13H14O4/c1-16-11(14)13(12(15)17-2)8-10(13)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3/t10-/m1/s1
InChIKey:HEDVHUQQVZUKBN-SNVBAGLBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:771.089
Molecular Formula:C38H40ClF4N2O2Rh
SMILES:Cl[Rh].CC(C)N(C(C)C)C(=O)c1ccccc1C1=C[C@@H]2C(=C[C@H]1c1c(F)c(F)c(F)c(F)c21)c1ccccc1C(=O)N(C(C)C)C(C)C
InChI:1S/C38H40F4N2O2.ClH.Rh/c1-19(2)43(20(3)4)37(45)25-15-11-9-13-23(25)27-17-30-28(18-29(27)31-32(30)34(40)36(42)35(41)33(31)39)24-14-10-12-16-26(24)38(46)44(21(5)6)22(7)8;;/h9-22,29-30H,1-8H3;1H;/q;;+1/p-1/t29-,30-;;/m1../s1
InChIKey:JGTOCCAHOLQCON-SEILFYAJSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:886.2
Molecular Formula:C32H12BF24Na
SMILES:[Na+].FC(F)(F)C1=CC(=CC(=C1)[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI:1S/C32H12BF24.Na/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;/h1-12H;/q-1;+1
InChIKey:LTGMONZOZHXAHO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:92.1384
Molecular Formula:C7H8
SMILES:CC1=CC=CC=C1
InChI:1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey:YXFVVABEGXRONW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:234.2909
Molecular Formula:C14H18O3
SMILES:COc1ccc(c(CC=C)c1)C1(C)OCCO1
InChI:1S/C14H18O3/c1-4-5-11-10-12(15-3)6-7-13(11)14(2)16-8-9-17-14/h4,6-7,10H,1,5,8-9H2,2-3H3
InChIKey:ONQALJVKCFQHSX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:364.3897
Molecular Formula:C19H24O7
SMILES:COC(=O)C1(CC1Cc1cc(OC)ccc1C1(C)OCCO1)C(=O)OC
InChI:1S/C19H24O7/c1-18(25-7-8-26-18)15-6-5-14(22-2)10-12(15)9-13-11-19(13,16(20)23-3)17(21)24-4/h5-6,10,13H,7-9,11H2,1-4H3
InChIKey:OEGWHAAKHSAONZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:320.3371
Molecular Formula:C17H20O6
SMILES:COC(=O)C1(C[C@@H]2Cc3cc(OC)ccc3[C@@]1(C)O2)C(=O)OC
InChI:1S/C17H20O6/c1-16-13-6-5-11(20-2)7-10(13)8-12(23-16)9-17(16,14(18)21-3)15(19)22-4/h5-7,12H,8-9H2,1-4H3/t12-,16+/m0/s1
InChIKey:XEPYGWQXMORNTG-BLLLJJGKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:36.461
Molecular Formula:ClH
SMILES:Cl[H]
InChI:1S/ClH/h1H
InChIKey:VEXZGXHMUGYJMC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:492.163
Molecular Formula:C3F9O9S3Sc
SMILES:FC(F)(F)S(=O)(=O)O[Sc](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI:1S/3CHF3O3S.Sc/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
InChIKey:HZXJVDYQRYYYOR-UHFFFAOYSA-K
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.959
Molecular Formula:C2H4Cl2
SMILES:ClCCCl
InChI:1S/C2H4Cl2/c3-1-2-4/h1-2H2
InChIKey:WSLDOOZREJYCGB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:190.2384
Molecular Formula:C12H14O2
SMILES:C[C@]12CC[C@H](Cc3cc(O)ccc13)O2
InChI:1S/C12H14O2/c1-12-5-4-10(14-12)7-8-6-9(13)2-3-11(8)12/h2-3,6,10,13H,4-5,7H2,1H3/t10-,12+/m1/s1
InChIKey:ZQFOIAZVGMJWKM-PWSUYJOCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:822.96
Molecular Formula:C43H72Cl2P2Ru
SMILES:Cl[Ru](Cl)=CC1=CC=CC=C1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.C1CCC(CC1)P(C1CCCCC1)C1CCCCC1
InChI:1S/2C18H33P.C7H6.2ClH.Ru/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h2*16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2/p-2
InChIKey:PNPBGYBHLCEVMK-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:294.326
Molecular Formula:C13H14N2O4S
SMILES:[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N(CCCC=C)C#C
InChI:1S/C13H14N2O4S/c1-3-5-6-11-14(4-2)20(18,19)13-9-7-12(8-10-13)15(16)17/h2-3,7-10H,1,5-6,11H2
InChIKey:MWGXCCXBTUBKPG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:424.425
Molecular Formula:C18H20N2O8S
SMILES:COC(=O)C1(C=C1N(CCCC=C)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(=O)OC
InChI:1S/C18H20N2O8S/c1-4-5-6-11-19(15-12-18(15,16(21)27-2)17(22)28-3)29(25,26)14-9-7-13(8-10-14)20(23)24/h4,7-10,12H,1,5-6,11H2,2-3H3
InChIKey:JIWRWFAHFRFMCS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:424.425
Molecular Formula:C18H20N2O8S
SMILES:COC(=O)c1cc(oc1OC)N(CCCC=C)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
InChI:1S/C18H20N2O8S/c1-4-5-6-11-19(16-12-15(17(21)26-2)18(27-3)28-16)29(24,25)14-9-7-13(8-10-14)20(22)23/h4,7-10,12H,1,5-6,11H2,2-3H3
InChIKey:YHAAOGLFIPYIMD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:392.383
Molecular Formula:C17H16N2O7S
SMILES:COC(=O)c1cc2N(CCCc2cc1O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
InChI:1S/C17H16N2O7S/c1-26-17(21)14-10-15-11(9-16(14)20)3-2-8-18(15)27(24,25)13-6-4-12(5-7-13)19(22)23/h4-7,9-10,20H,2-3,8H2,1H3
InChIKey:KYPIGXJZPAZGQX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.685
Molecular Formula:C9H9ClOS
SMILES:Clc1ccc(cc1)C1OCCS1
InChI:1S/C9H9ClOS/c10-8-3-1-7(2-4-8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChIKey:SZAPXYMTZBFEND-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:330.784
Molecular Formula:C14H15ClO5S
SMILES:COC(=O)C1(SCCO[C@@H]1c1ccc(Cl)cc1)C(=O)OC
InChI:1S/C14H15ClO5S/c1-18-12(16)14(13(17)19-2)11(20-7-8-21-14)9-3-5-10(15)6-4-9/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1
InChIKey:UYFDYAHEPHTZFX-LLVKDONJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:330.784
Molecular Formula:C14H15ClO5S
SMILES:COC(=O)C1(SCCO[C@H]1c1ccc(Cl)cc1)C(=O)OC
InChI:1S/C14H15ClO5S/c1-18-12(16)14(13(17)19-2)11(20-7-8-21-14)9-3-5-10(15)6-4-9/h3-6,11H,7-8H2,1-2H3/t11-/m0/s1
InChIKey:UYFDYAHEPHTZFX-NSHDSACASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:361.684
Molecular Formula:C2H2CuF6O6S2
SMILES:[Cu++].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:342.4751
Molecular Formula:C21H30N2O2
SMILES:CC(C)[C@H]1COC(=N1)C(C)(Cc1ccccc1)C1=N[C@H](CO1)C(C)C
InChI:1S/C21H30N2O2/c1-14(2)17-12-24-19(22-17)21(5,11-16-9-7-6-8-10-16)20-23-18(13-25-20)15(3)4/h6-10,14-15,17-18H,11-13H2,1-5H3/t17-,18-/m1/s1
InChIKey:BBFBTUSLSAFMKW-QZTJIDSGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:97.1152
Molecular Formula:C5H7NO
SMILES:CC1=CC(C)=NO1
InChI:1S/C5H7NO/c1-4-3-5(2)7-6-4/h3H,1-2H3
InChIKey:FICAQKBMCKEFDI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:227.2139
Molecular Formula:C10H13NO5
SMILES:COC(=O)C1(OC(C)=CC(C)=N1)C(=O)OC
InChI:1S/C10H13NO5/c1-6-5-7(2)16-10(11-6,8(12)14-3)9(13)15-4/h5H,1-4H3
InChIKey:IJAXJMZDQMYMGX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:173.233
Molecular Formula:C7H11NO2S
SMILES:CCOC(=O)[C@@H]1CCC(=S)N1
InChI:1S/C7H11NO2S/c1-2-10-7(9)5-3-4-6(11)8-5/h5H,2-4H2,1H3,(H,8,11)/t5-/m0/s1
InChIKey:MKXRCPKGURCHRF-YFKPBYRVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:271.2665
Molecular Formula:C12H17NO6
SMILES:CCOC(=O)[C@@H]1CCC(N1)=C(C(=O)OC)C(=O)OC
InChI:1S/C12H17NO6/c1-4-19-10(14)8-6-5-7(13-8)9(11(15)17-2)12(16)18-3/h8,13H,4-6H2,1-3H3/t8-/m0/s1
InChIKey:IOLIRYVADQTNLO-QMMMGPOBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:99.088
Molecular Formula:C4H5NO2
SMILES:O=C1CCC(=O)N1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:229.1867
Molecular Formula:C9H11NO6
SMILES:COC(=O)C(OC1=NC(=O)CC1)C(=O)OC
InChI:1S/C9H11NO6/c1-14-8(12)7(9(13)15-2)16-6-4-3-5(11)10-6/h7H,3-4H2,1-2H3
InChIKey:NSWYNNREVLMLNL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.124
Molecular Formula:C6H6N2O2
SMILES:NC1=CC=C(C=C1)[N+]([O-])=O
InChI:1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
InChIKey:TYMLOMAKGOJONV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.1546
Molecular Formula:C6H10N2O4
SMILES:CCOC(=O)\N=N\C(=O)OCC
InChI:1S/C6H10N2O4/c1-3-11-5(9)7-8-6(10)12-4-2/h3-4H2,1-2H3/b8-7+
InChIKey:FAMRKDQNMBBFBR-BQYQJAHWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:442.3774
Molecular Formula:C17H22N4O10
SMILES:CCOC(=O)NN(C(=O)OCC)C(Nc1ccc(cc1)[N+]([O-])=O)(C(=O)OC)C(=O)OC
InChI:1S/C17H22N4O10/c1-5-30-15(24)19-20(16(25)31-6-2)17(13(22)28-3,14(23)29-4)18-11-7-9-12(10-8-11)21(26)27/h7-10,18H,5-6H2,1-4H3,(H,19,24)
InChIKey:AEOMREBJDHUXLJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:110.177
Molecular Formula:C6H6S
SMILES:SC1=CC=CC=C1
InChI:1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey:RMVRSNDYEFQCLF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:414.43
Molecular Formula:C17H22N2O8S
SMILES:CCOC(=O)NN(C(=O)OCC)C(Sc1ccccc1)(C(=O)OC)C(=O)OC
InChI:1S/C17H22N2O8S/c1-5-26-15(22)18-19(16(23)27-6-2)17(13(20)24-3,14(21)25-4)28-12-10-8-7-9-11-12/h7-11H,5-6H2,1-4H3,(H,18,22)
InChIKey:PUBVVMDISMGJDM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:142.1094
Molecular Formula:C6H6O4
SMILES:COC(=O)C#CC(=O)OC
InChI:1S/C6H6O4/c1-9-5(7)3-4-6(8)10-2/h1-2H3
InChIKey:VHILMKFSCRWWIJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:378.3301
Molecular Formula:C18H18O9
SMILES:COC(=O)C1=C(C(=O)OC)C(OC1c1ccccc1)(C(=O)OC)C(=O)OC
InChI:1S/C18H18O9/c1-23-14(19)11-12(15(20)24-2)18(16(21)25-3,17(22)26-4)27-13(11)10-8-6-5-7-9-10/h5-9,13H,1-4H3
InChIKey:XOZXAHPWMOGVDM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.1479
Molecular Formula:C8H8O2
SMILES:CC1=CC(=O)C(C)=CC1=O
InChI:1S/C8H8O2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,1-2H3
InChIKey:MYKLQMNSFPAPLZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:284.215
Molecular Formula:C12H28O4Ti
SMILES:CC(C)O[Ti](OC(C)C)(OC(C)C)OC(C)C
InChI:1S/4C3H7O.Ti/c4*1-3(2)4;/h4*3H,1-2H3;/q4*-1;+4
InChIKey:VXUYXOFXAQZZMF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:326.3417
Molecular Formula:C16H22O7
SMILES:COC(=O)C(OC(C)C)(C(=O)OC)C1(O)C=C(C)C(=O)C=C1C
InChI:1S/C16H22O7/c1-9(2)23-16(13(18)21-5,14(19)22-6)15(20)8-10(3)12(17)7-11(15)4/h7-9,20H,1-6H3
InChIKey:CKPZEBPHZUUEIZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:237.2964
Molecular Formula:C16H15NO
SMILES:CN(\C=C\C(=O)c1ccccc1)c1ccccc1
InChI:1S/C16H15NO/c1-17(15-10-6-3-7-11-15)13-12-16(18)14-8-4-2-5-9-14/h2-13H,1H3/b13-12+
InChIKey:XMQUBDFVQGQJHU-OUKQBFOZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:365.3793
Molecular Formula:C21H19NO5
SMILES:COC(=O)C1(C(=O)OC)C(=CC(=O)c2ccccc12)N(C)c1ccccc1
InChI:1S/C21H19NO5/c1-22(14-9-5-4-6-10-14)18-13-17(23)15-11-7-8-12-16(15)21(18,19(24)26-2)20(25)27-3/h4-13H,1-3H3
InChIKey:NHOGFHHKCOGYQH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:367.3951
Molecular Formula:C21H21NO5
SMILES:COC(=O)C1(OC(=CC1N(C)c1ccccc1)c1ccccc1)C(=O)OC
InChI:1S/C21H21NO5/c1-22(16-12-8-5-9-13-16)18-14-17(15-10-6-4-7-11-15)27-21(18,19(23)25-2)20(24)26-3/h4-14,18H,1-3H3
InChIKey:OXULYOXVGACLIQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:117.1479
Molecular Formula:C8H7N
SMILES:N1C=CC2=CC=CC=C12
InChI:1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKey:SIKJAQJRHWYJAI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:247.2466
Molecular Formula:C13H13NO4
SMILES:COC(=O)C(C(=O)OC)c1c[nH]c2ccccc12
InChI:1S/C13H13NO4/c1-17-12(15)11(13(16)18-2)9-7-14-10-6-4-3-5-8(9)10/h3-7,11,14H,1-2H3
InChIKey:JUOUNAUKECBWCM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:106.165
Molecular Formula:C8H10
SMILES:CC1=CC=C(C)C=C1
InChI:1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
InChIKey:URLKBWYHVLBVBO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.2637
Molecular Formula:C13H16O4
SMILES:COC(=O)C(Cc1ccc(C)cc1)C(=O)OC
InChI:1S/C13H16O4/c1-9-4-6-10(7-5-9)8-11(12(14)16-2)13(15)17-3/h4-7,11H,8H2,1-3H3
InChIKey:VDDVOUKFJRBURC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.2637
Molecular Formula:C13H16O4
SMILES:COC(=O)C(C(=O)OC)c1cc(C)ccc1C
InChI:1S/C13H16O4/c1-8-5-6-9(2)10(7-8)11(12(14)16-3)13(15)17-4/h5-7,11H,1-4H3
InChIKey:BLJYMLCYVOCYCF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:704.018
Molecular Formula:C44H28ClFeN4
SMILES:Cl[Fe]1N2C3=CC=C2\C(=C2\C=CC(=N2)\C(=C2\C=C/C(/N12)=C(/C1=N/C(/C=C1)=C3/C1=CC=CC=C1)C1=CC=CC=C1)\C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C44H28N4.ClH.Fe/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;;/h1-28H;1H;/q-2;;+3/p-1/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;;
InChIKey:ZDYSAMCSFRQDMN-YKKPBKTHSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:121.1796
Molecular Formula:C8H11N
SMILES:CNCC1=CC=CC=C1
InChI:1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKey:RIWRFSMVIUAEBX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:219.2365
Molecular Formula:C12H13NO3
SMILES:COC(=O)C1C(=O)N(C)Cc2ccccc12
InChI:1S/C12H13NO3/c1-13-7-8-5-3-4-6-9(8)10(11(13)14)12(15)16-2/h3-6,10H,7H2,1-2H3
InChIKey:MWRGRHPZBINUME-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:618.075
Molecular Formula:C20H30Cl4Rh2
SMILES:Cl[Rh]Cl.Cl[Rh]Cl.C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C
InChI:1S/2C10H20.4ClH.2Rh/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*6-10H,1-5H3;4*1H;;/q;;;;;;2*+2/p-4
InChIKey:ATONPBANLOSCTK-UHFFFAOYSA-J
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.9122
Molecular Formula:C2H3AgO2
SMILES:[Ag+].CC([O-])=O
InChI:1S/C2H4O2.Ag/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKey:CQLFBEKRDQMJLZ-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:32.0419
Molecular Formula:CH4O
SMILES:CO
InChI:1S/CH4O/c1-2/h2H,1H3
InChIKey:OKKJLVBELUTLKV-UHFFFAOYSA-N
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