Standard Article

Tris(2-pyridylmethyl)amine

  1. Vijayanand Chandrasekaran1,
  2. Steven J. Collier2

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01606

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Chandrasekaran, V. and Collier, S. J. 2013. Tris(2-pyridylmethyl)amine. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. 1

    Christiana Albertina University of Kiel, Germany

  2. 2

    Codexis Laboratories Singapore Pte Ltd., Singapore

Publication History

  1. Published Online: 16 SEP 2013

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  1. 1 - 162
Compound Information
Drug synonym:Not Available
Molecular Weight:290.3623
Molecular Formula:C18H18N4
SMILES:C(N(CC1=NC=CC=C1)CC1=NC=CC=C1)C1=NC=CC=C1
InChI:1S/C18H18N4/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18/h1-12H,13-15H2
InChIKey:VGUWFGWZSVLROP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.032
Molecular Formula:C6H7Cl2N
SMILES:Cl[H].ClCC1=NC=CC=C1
InChI:1S/C6H6ClN.ClH/c7-5-6-3-1-2-4-8-6;/h1-4H,5H2;1H
InChIKey:JPMRGPPMXHGKRO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:108.1411
Molecular Formula:C6H8N2
SMILES:NCC1=NC=CC=C1
InChI:1S/C6H8N2/c7-5-6-3-1-2-4-8-6/h1-4H,5,7H2
InChIKey:WOXFMYVTSLAQMO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:39.9971
Molecular Formula:HNaO
SMILES:[Na+].[O-][H]
InChI:1S/Na.H2O/h;1H2/q+1;/p-1
InChIKey:HEMHJVSKTPXQMS-UHFFFAOYSA-M
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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: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:84.1595
Molecular Formula:C6H12
SMILES:C1CCCCC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1589
Molecular Formula:C6H12O
SMILES:OC1CCCCC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:C6H10O
SMILES:O=C1CCCCC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:745.342
Molecular Formula:C44H43BN4NiO3
SMILES:O.CC(=O)O[Ni+].C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
InChI:1S/C24H20B.C18H18N4.C2H4O2.Ni.H2O/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2(3)4;;/h1-20H;1-12H,13-15H2;1H3,(H,3,4);;1H2/q-1;;;+2;/p-1
InChIKey:CGPKYAXQGNVAOQ-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:172.566
Molecular Formula:C7H5ClO3
SMILES:OOC(=O)C1=CC(Cl)=CC=C1
InChI:1S/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H
InChIKey:NHQDETIJWKXCTC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:41.0519
Molecular Formula:C2H3N
SMILES:CC#N
InChI:1S/C2H3N/c1-2-3/h1H3
InChIKey:WEVYAHXRMPXWCK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.2126
Molecular Formula:C8H16
SMILES:C1CCCCCCC1
InChI:1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2
InChIKey:WJTCGQSWYFHTAC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:128.212
Molecular Formula:C8H16O
SMILES:OC1CCCCCCC1
InChI:1S/C8H16O/c9-8-6-4-2-1-3-5-7-8/h8-9H,1-7H2
InChIKey:FHADSMKORVFYOS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:126.1962
Molecular Formula:C8H14O
SMILES:O=C1CCCCCCC1
InChI:1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
InChIKey:IIRFCWANHMSDCG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:106.165
Molecular Formula:C8H10
SMILES:CCC1=CC=CC=C1
InChI:1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey:YNQLUTRBYVCPMQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:dl‐1‐phenylethanol, Î±â€methylbenzyl alcohol
Molecular Weight:122.1644
Molecular Formula:C8H10O
SMILES:CC(O)C1=CC=CC=C1
InChI:1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
InChIKey:WAPNOHKVXSQRPX-UHFFFAOYSA-N
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Compound Information
Drug synonym:1‐Phenylethanone, phenyl methyl ketone
Molecular Weight:120.1485
Molecular Formula:C8H8O
SMILES:CC(=O)C1=CC=CC=C1
InChI:1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey:KWOLFJPFCHCOCG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.234
Molecular Formula:C10H16
SMILES:[H][C@@:4]12[CH2:1][C@@:2]3([H])[CH2:3][C@@:8]([H])([CH2:5]1)[CH2:10][C@@:9]([H])([CH2:7]2)[CH2:6]3
InChI:1S/C10H16/c1-7-2-9-4-8(1)5-10(3-7)6-9/h7-10H,1-6H2/t7-,8+,9-,10+
InChIKey:ORILYTVJVMAKLC-YNFQOJQRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.2334
Molecular Formula:C10H16O
SMILES:[H][C@:3]12[CH2:2][C@:1]3([H])[CH2:6][C@:5]([H])([CH2:4]1)[CH2:10][C@:8](O)([CH2:7]2)[CH2:9]3
InChI:1S/C10H16O/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9,11H,1-6H2/t7-,8+,9-,10-
InChIKey:VLLNJDMHDJRNFK-CHIWXEEVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.2334
Molecular Formula:C10H16O
SMILES:[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(O)[C@@]([H])(C2)C3
InChI:1S/C10H16O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-11H,1-5H2/t6-,7+,8-,9+,10?
InChIKey:FOWDOWQYRZXQDP-MGPGSJOLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.2176
Molecular Formula:C10H14O
SMILES:[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(=O)[C@@]([H])(C2)C3
InChI:1S/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2/t6-,7+,8-,9+
InChIKey:IYKFYARMMIESOX-SPJNRGJMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:118.605
Molecular Formula:C6H11Cl
SMILES:ClC1CCCCC1
InChI:1S/C6H11Cl/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey:UNFUYWDGSFDHCW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:516.564
Molecular Formula:C18H18Cl3FeN4O4
SMILES:Cl[Fe+]Cl.[O-][Cl](=O)(=O)=O.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.ClHO4.2ClH.Fe/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2-1(3,4)5;;;/h1-12H,13-15H2;(H,2,3,4,5);2*1H;/q;;;;+3/p-3
InChIKey:NJXDTMCPUBABRC-UHFFFAOYSA-K
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Compound Information
Drug synonym:Not Available
Molecular Weight:90.121
Molecular Formula:C4H10O2
SMILES:CC(C)(C)OO
InChI:1S/C4H10O2/c1-4(2,3)6-5/h5H,1-3H3
InChIKey:CIHOLLKRGTVIJN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:163.056
Molecular Formula:C6H11Br
SMILES:BrC1CCCCC1
InChI:1S/C6H11Br/c7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey:AQNQQHJNRPDOQV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:605.466
Molecular Formula:C18H18Br2ClFeN4O4
SMILES:Br[Fe+]Br.[O-][Cl](=O)(=O)=O.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.2BrH.ClHO4.Fe/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;;;2-1(3,4)5;/h1-12H,13-15H2;2*1H;(H,2,3,4,5);/q;;;;+3/p-3
InChIKey:YJBMMIATHPSWLR-UHFFFAOYSA-K
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Compound Information
Drug synonym:Not Available
Molecular Weight:125.1716
Molecular Formula:C6H11N3
SMILES:[N-]=[N+]=NC1CCCCC1
InChI:1S/C6H11N3/c7-9-8-6-4-2-1-3-5-6/h6H,1-5H2
InChIKey:ODSNIGPBQIINLA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:529.698
Molecular Formula:C18H18ClFeN10O4
SMILES:[O-][Cl](=O)(=O)=O.[N-]=[N+]=N[Fe+]N=[N+]=[N-].C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.ClHO4.Fe.2N3/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2-1(3,4)5;;2*1-3-2/h1-12H,13-15H2;(H,2,3,4,5);;;/q;;+3;2*-1/p-1
InChIKey:AFRXQHYMUOUSJR-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:168.2328
Molecular Formula:C10H16O2
SMILES:[H][C@@]12C[C@@]3([H])C[C@@](O)(C1)C[C@@](O)(C2)C3
InChI:1S/C10H16O2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8,11-12H,1-6H2/t7-,8+,9+,10-
InChIKey:MOLCWHCSXCKHAP-FIRGSJFUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:714.58
Molecular Formula:C26H30Cl2N4O7RuS
SMILES:Cl[Ru]Cl.CS(C)=O.COC(=O)c1ccc(CN(Cc2ccc(cn2)C(=O)OC)Cc2ccc(cn2)C(=O)OC)nc1
InChI:1S/C24H24N4O6.C2H6OS.2ClH.Ru.4H/c1-32-22(29)16-4-7-19(25-10-16)13-28(14-20-8-5-17(11-26-20)23(30)33-2)15-21-9-6-18(12-27-21)24(31)34-3;1-4(2)3;;;;;;;/h4-12H,13-15H2,1-3H3;1-2H3;2*1H;;;;;/q;;;;+2;;;;/p-2
InChIKey:GJSQZGQUZYRJIY-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:163.989
Molecular Formula:C5H3Cl2NO
SMILES:[O-][N+]1=C(Cl)C=CC=C1Cl
InChI:1S/C5H3Cl2NO/c6-4-2-1-3-5(7)8(4)9/h1-3H
InChIKey:RFOMGVDPYLWLOC-UHFFFAOYSA-N
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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: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: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:Benzenemethanol, phenylmethanol
Molecular Weight:108.1378
Molecular Formula:C7H8O
SMILES:OCC1=CC=CC=C1
InChI:1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
InChIKey:WVDDGKGOMKODPV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1378.269
Molecular Formula:C84H76B2Cu2N8O2
SMILES:[Cu+]OO[Cu+].C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(cc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
InChI:1S/2C24H20B.2C18H18N4.2Cu.O2/c2*1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;;;1-2/h2*1-20H;2*1-12H,13-15H2;;;/q2*-1;;;2*+2;-2
InChIKey:XYAVTCWXTZYOOH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.2126
Molecular Formula:C8H16
SMILES:CCCCCCC=C
InChI:1S/C8H16/c1-3-5-7-8-6-4-2/h3H,1,4-8H2,2H3
InChIKey:KWKAKUADMBZCLK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:128.212
Molecular Formula:C8H16O
SMILES:CCCCCCC1CO1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:643.439
Molecular Formula:C20H18F6MnN4O6S2
SMILES:FC(F)(F)S(=O)(=O)O[Mn]OS(=O)(=O)C(F)(F)F.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.2CHF3O3S.Mn/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;2*2-1(3,4)8(5,6)7;/h1-12H,13-15H2;2*(H,5,6,7);/q;;;+2/p-2
InChIKey:WSYSFMDTWUIANY-UHFFFAOYSA-L
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Compound Information
Drug synonym:ethaneperoxoic acid, peroxyacetic acid
Molecular Weight:76.0514
Molecular Formula:C2H4O3
SMILES:CC(=O)OO
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:388.93
Molecular Formula:C8H16Cl2Rh2
SMILES:Cl[Rh].Cl[Rh].C=C.C=C.C=C.C=C
InChI:1S/4C2H4.2ClH.2Rh/c4*1-2;;;;/h4*1-2H2;2*1H;;/q;;;;;;2*+1/p-2
InChIKey:OOQJCPOXJFCGCR-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:566.2852
Molecular Formula:C20H22F6N4PRh
SMILES:[Rh+].C=C.F[P-](F)(F)(F)(F)F.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C2H4.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2;1-7(2,3,4,5)6;/h1-12H,13-15H2;1-2H2;;/q;;-1;+1
InChIKey:VJJLVRMBSIVELW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:184.0625
Molecular Formula:F6KP
SMILES:[K+].F[P-](F)(F)(F)(F)F
InChI:1S/F6P.K/c1-7(2,3,4,5)6;/q-1;+1
InChIKey:YZDGRYDIGCWVND-UHFFFAOYSA-N
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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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Compound Information
Drug synonym:Not Available
Molecular Weight:582.2846
Molecular Formula:C20H22F6N4OPRh
SMILES:C1C[Rh+]O1.F[P-](F)(F)(F)(F)F.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C2H4O.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2-3;1-7(2,3,4,5)6;/h1-12H,13-15H2;1-2H2;;/q;2*-1;+2
InChIKey:WCSQGIBHSPWGSN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:34.0147
Molecular Formula:H2O2
SMILES:[H]OO[H]
InChI:1S/H2O2/c1-2/h1-2H
InChIKey:MHAJPDPJQMAIIY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.826
Molecular Formula:C6H6BBrO2
SMILES:OB(O)C1=CC=C(Br)C=C1
InChI:1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
InChIKey:QBLFZIBJXUQVRF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:783.11
Molecular Formula:C26H28BBrF6N4O3PRh
SMILES:F[P-](F)(F)(F)(F)F.OB(O)OCC[Rh]c1ccc(Br)cc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C6H4Br.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;7-6-4-2-1-3-5-6;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;2-5H;4-5H,1-2H2;;/q;;;-1;
InChIKey:JLSRCEZJTHMSQH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:36.0665
Molecular Formula:CH4O
SMILES:[2H]OC([2H])([2H])[2H]
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:147.967
Molecular Formula:C8H9BO2
SMILES:[H]OB(O[H])\C=C\C1=CC=CC=C1
InChI:1S/C8H9BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7,10-11H/b7-6+
InChIKey:VKIJXFIYBAYHOE-VOTSOKGWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:730.251
Molecular Formula:C28H31BF6N4O3PRh
SMILES:F[P-](F)(F)(F)(F)F.OB(O)OCC[Rh]\C=C\c1ccccc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C8H7.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2-8-6-4-3-5-7-8;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;1-7H;4-5H,1-2H2;;/q;;;-1;
InChIKey:MPAHCQWIRIJYEC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:156.375
Molecular Formula:C6H6BClO2
SMILES:OB(O)C1=CC=C(Cl)C=C1
InChI:1S/C6H6BClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
InChIKey:CAYQIZIAYYNFCS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:738.659
Molecular Formula:C26H28BClF6N4O3PRh
SMILES:F[P-](F)(F)(F)(F)F.OB(O)OCC[Rh]c1ccc(Cl)cc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C6H4Cl.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;7-6-4-2-1-3-5-6;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;2-5H;4-5H,1-2H2;;/q;;;-1;
InChIKey:VMTBFEBGTBZCBZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:139.92
Molecular Formula:C6H6BFO2
SMILES:OB(O)C1=CC=C(F)C=C1
InChI:1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
InChIKey:LBUNNMJLXWQQBY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:722.205
Molecular Formula:C26H28BF7N4O3PRh
SMILES:F[P-](F)(F)(F)(F)F.OB(O)OCC[Rh]c1ccc(F)cc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C6H4F.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;7-6-4-2-1-3-5-6;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;2-5H;4-5H,1-2H2;;/q;;;-1;
InChIKey:JJNMSRIAIJYUJC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:121.93
Molecular Formula:C6H7BO2
SMILES:OB(O)C1=CC=CC=C1
InChI:1S/C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H
InChIKey:HXITXNWTGFUOAU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:704.214
Molecular Formula:C26H29BF6N4O3PRh
SMILES:F[P-](F)(F)(F)(F)F.OB(O)OCC[Rh]c1ccccc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C6H5.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-2-4-6-5-3-1;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;1-5H;4-5H,1-2H2;;/q;;;-1;
InChIKey:JOQZIIHBIVQQDY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:135.956
Molecular Formula:C7H9BO2
SMILES:CC1=CC=C(C=C1)B(O)O
InChI:1S/C7H9BO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5,9-10H,1H3
InChIKey:BIWQNIMLAISTBV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:718.241
Molecular Formula:C27H31BF6N4O3PRh
SMILES:F[P-](F)(F)(F)(F)F.Cc1ccc([Rh]CCOB(O)O)cc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C7H7.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-7-5-3-2-4-6-7;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;3-6H,1H3;4-5H,1-2H2;;/q;;;-1;
InChIKey:PKNGQRJRYIIKOO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:198.026
Molecular Formula:C12H11BO2
SMILES:OB(O)C1=CC=C(C=C1)C1=CC=CC=C1
InChI:1S/C12H11BO2/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,14-15H
InChIKey:XPEIJWZLPWNNOK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:780.31
Molecular Formula:C32H33BF6N4O3PRh
SMILES:F[P-](F)(F)(F)(F)F.OB(O)OCC[Rh]c1ccc(cc1)-c1ccccc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C12H9.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;1,3-10H;4-5H,1-2H2;;/q;;;-1;
InChIKey:RYAKHQCRBKCETG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:151.956
Molecular Formula:C7H9BO3
SMILES:COC1=CC=C(C=C1)B(O)O
InChI:1S/C7H9BO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChIKey:VOAAEKKFGLPLLU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:734.24
Molecular Formula:C27H31BF6N4O4PRh
SMILES:F[P-](F)(F)(F)(F)F.COc1ccc([Rh]CCOB(O)O)cc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C7H7O.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-8-7-5-3-2-4-6-7;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;3-6H,1H3;4-5H,1-2H2;;/q;;;-1;
InChIKey:PWUSGEGBZGKHFR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:137.929
Molecular Formula:C6H7BO3
SMILES:OB(O)C1=CC=C(O)C=C1
InChI:1S/C6H7BO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8-10H
InChIKey:COIQUVGFTILYGA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:720.214
Molecular Formula:C26H29BF6N4O4PRh
SMILES:F[P-](F)(F)(F)(F)F.OB(O)OCC[Rh]c1ccc(O)cc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C6H5O.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;7-6-4-2-1-3-5-6;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;2-5,7H;4-5H,1-2H2;;/q;;;-1;
InChIKey:WRUSBMBTQDLSKB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.997
Molecular Formula:C8H12BNO2
SMILES:CN(C)C1=CC=C(C=C1)B(O)O
InChI:1S/C8H12BNO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3
InChIKey:RIIPFHVHLXPMHQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:747.282
Molecular Formula:C28H34BF6N5O3PRh
SMILES:F[P-](F)(F)(F)(F)F.CN(C)c1ccc([Rh]CCOB(O)O)cc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C8H10N.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-9(2)8-6-4-3-5-7-8;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;4-7H,1-2H3;4-5H,1-2H2;;/q;;;-1;
InChIKey:IOGLXOHHDPICMU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:163.966
Molecular Formula:C8H9BO3
SMILES:CC(=O)C1=CC=C(C=C1)B(O)O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:746.251
Molecular Formula:C28H31BF6N4O4PRh
SMILES:F[P-](F)(F)(F)(F)F.CC(=O)c1ccc([Rh]CCOB(O)O)cc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C8H7O.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-7(9)8-5-3-2-4-6-8;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;3-6H,1H3;4-5H,1-2H2;;/q;;;-1;
InChIKey:GKYVXYNUBNYNDX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:168.021
Molecular Formula:C7H9BO2S
SMILES:CSC1=CC=C(C=C1)B(O)O
InChI:1S/C7H9BO2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChIKey:IVUHTLFKBDDICS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:750.306
Molecular Formula:C27H31BF6N4O3PRhS
SMILES:F[P-](F)(F)(F)(F)F.CSc1ccc([Rh]CCOB(O)O)cc1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C7H7S.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-8-7-5-3-2-4-6-7;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;3-6H,1H3;4-5H,1-2H2;;/q;;;-1;
InChIKey:PXCMGZWDDYWUIU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.826
Molecular Formula:C6H6BBrO2
SMILES:OB(O)C1=CC=CC=C1Br
InChI:1S/C6H6BBrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H
InChIKey:PLVCYMZAEQRYHJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:783.11
Molecular Formula:C26H28BBrF6N4O3PRh
SMILES:F[P-](F)(F)(F)(F)F.OB(O)OCC[Rh]c1ccccc1Br.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C6H4Br.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;7-6-4-2-1-3-5-6;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;1-4H;4-5H,1-2H2;;/q;;;-1;
InChIKey:VMLCXGGOXWENIV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.826
Molecular Formula:C6H6BBrO2
SMILES:OB(O)C1=CC(Br)=CC=C1
InChI:1S/C6H6BBrO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4,9-10H
InChIKey:AFSSVCNPDKKSRR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:783.11
Molecular Formula:C26H28BBrF6N4O3PRh
SMILES:F[P-](F)(F)(F)(F)F.OB(O)OCC[Rh]c1cccc(Br)c1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C6H4Br.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;7-6-4-2-1-3-5-6;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;1-2,4-5H;4-5H,1-2H2;;/q;;;-1;
InChIKey:BZXZSHPKSJDIFS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:149.983
Molecular Formula:C8H11BO2
SMILES:CC1=CC=CC(C)=C1B(O)O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:732.267
Molecular Formula:C28H33BF6N4O3PRh
SMILES:F[P-](F)(F)(F)(F)F.Cc1cccc(C)c1[Rh]CCOB(O)O.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C8H9.C2H6BO3.F6P.Rh/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;1-7-4-3-5-8(2)6-7;1-2-6-3(4)5;1-7(2,3,4,5)6;/h1-12H,13-15H2;3-5H,1-2H3;4-5H,1-2H2;;/q;;;-1;
InChIKey:YLEWXZOFNDXTAH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:144.556
Molecular Formula:C6H5ClO2
SMILES:OC1=C(O)C=C(Cl)C=C1
InChI:1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKey:WWOBYPKUYODHDG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:488.747
Molecular Formula:C24H21ClFeN4O2
SMILES:Clc1ccc2O[Fe+]Oc2c1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.C6H5ClO2.Fe/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;7-4-1-2-5(8)6(9)3-4;/h1-12H,13-15H2;1-3,8-9H;/q;;+3/p-2
InChIKey:MGWXGVDIVIVUEV-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:162.204
Molecular Formula:Cl3Fe
SMILES:Cl[Fe](Cl)Cl
InChI:1S/3ClH.Fe/h3*1H;/q;;;+3/p-3
InChIKey:RBTARNINKXHZNM-UHFFFAOYSA-K
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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:carbon tetrachloride, Carbona, pyrene
Molecular Weight:153.823
Molecular Formula:CCl4
SMILES:ClC(Cl)(Cl)Cl
InChI:1S/CCl4/c2-1(3,4)5
InChIKey:VZGDMQKNWNREIO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:266.035
Molecular Formula:C9H16Cl4
SMILES:CCCCCCC(Cl)CC(Cl)(Cl)Cl
InChI:1S/C9H16Cl4/c1-2-3-4-5-6-8(10)7-9(11,12)13/h8H,2-7H2,1H3
InChIKey:FOHFUTULBZGYCC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:389.361
Molecular Formula:C18H18ClCuN4
SMILES:Cl[Cu].C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.ClH.Cu/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;;/h1-12H,13-15H2;1H;/q;;+1/p-1
InChIKey:NZYHYAKBDUUVIH-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:203.451
Molecular Formula:C5H5Cl3O2
SMILES:ClC(Cl)(Cl)C(=O)OCC=C
InChI:1S/C5H5Cl3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2
InChIKey:LJQCONXCOYBYIE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:203.451
Molecular Formula:C5H5Cl3O2
SMILES:ClCC1COC(=O)C1(Cl)Cl
InChI:1S/C5H5Cl3O2/c6-1-3-2-10-4(9)5(3,7)8/h3H,1-2H2
InChIKey:STROTKWIRATZDY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:231.504
Molecular Formula:C7H9Cl3O2
SMILES:ClC(Cl)(Cl)C(=O)OCCCC=C
InChI:1S/C7H9Cl3O2/c1-2-3-4-5-12-6(11)7(8,9)10/h2H,1,3-5H2
InChIKey:WMVZSMAZWDFZPH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:231.504
Molecular Formula:C7H9Cl3O2
SMILES:ClC1CCCOC(=O)C(Cl)(Cl)C1
InChI:1S/C7H9Cl3O2/c8-5-2-1-3-12-6(11)7(9,10)4-5/h5H,1-4H2
InChIKey:QETKVAISFICGFK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:245.531
Molecular Formula:C8H11Cl3O2
SMILES:ClC(Cl)(Cl)C(=O)OCCCCC=C
InChI:1S/C8H11Cl3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2H,1,3-6H2
InChIKey:QGIUXLVKRBFCIK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:245.531
Molecular Formula:C8H11Cl3O2
SMILES:ClC1CCCCOC(=O)C(Cl)(Cl)C1
InChI:1S/C8H11Cl3O2/c9-6-3-1-2-4-13-7(12)8(10,11)5-6/h6H,1-5H2
InChIKey:QBZIZEAIAYRTGV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:259.557
Molecular Formula:C9H13Cl3O2
SMILES:ClC(Cl)(Cl)C(=O)OCCCCCC=C
InChI:1S/C9H13Cl3O2/c1-2-3-4-5-6-7-14-8(13)9(10,11)12/h2H,1,3-7H2
InChIKey:ANSMLDATZNEIAK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:259.557
Molecular Formula:C9H13Cl3O2
SMILES:ClC1CCCCCOC(=O)C(Cl)(Cl)C1
InChI:1S/C9H13Cl3O2/c10-7-4-2-1-3-5-14-8(13)9(11,12)6-7/h7H,1-6H2
InChIKey:NMVKVTKRCJGJSA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:247.504
Molecular Formula:C7H9Cl3O3
SMILES:ClC(Cl)(Cl)C(=O)OCCOCC=C
InChI:1S/C7H9Cl3O3/c1-2-3-12-4-5-13-6(11)7(8,9)10/h2H,1,3-5H2
InChIKey:FQTGCSILFNQJOY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:247.504
Molecular Formula:C7H9Cl3O3
SMILES:ClC1COCCOC(=O)C(Cl)(Cl)C1
InChI:1S/C7H9Cl3O3/c8-5-3-7(9,10)6(11)13-2-1-12-4-5/h5H,1-4H2
InChIKey:XLYFHFAXMRGWCR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:291.556
Molecular Formula:C9H13Cl3O4
SMILES:ClC(Cl)(Cl)C(=O)OCCOCCOCC=C
InChI:1S/C9H13Cl3O4/c1-2-3-14-4-5-15-6-7-16-8(13)9(10,11)12/h2H,1,3-7H2
InChIKey:NKNHQXNWFCSPKI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:291.556
Molecular Formula:C9H13Cl3O4
SMILES:ClC1COCCOCCOC(=O)C(Cl)(Cl)C1
InChI:1S/C9H13Cl3O4/c10-7-5-9(11,12)8(13)16-4-3-14-1-2-15-6-7/h7H,1-6H2
InChIKey:DZHXTKXZGKVHCA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:335.609
Molecular Formula:C11H17Cl3O5
SMILES:ClC(Cl)(Cl)C(=O)OCCOCCOCCOCC=C
InChI:1S/C11H17Cl3O5/c1-2-3-16-4-5-17-6-7-18-8-9-19-10(15)11(12,13)14/h2H,1,3-9H2
InChIKey:YYZKPPKAALPGFH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:335.609
Molecular Formula:C11H17Cl3O5
SMILES:ClC1COCCOCCOCCOC(=O)C(Cl)(Cl)C1
InChI:1S/C11H17Cl3O5/c12-9-7-11(13,14)10(15)19-6-5-17-2-1-16-3-4-18-8-9/h9H,1-8H2
InChIKey:QTIZZFTWJXPWIG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:379.661
Molecular Formula:C13H21Cl3O6
SMILES:ClC(Cl)(Cl)C(=O)OCCOCCOCCOCCOCC=C
InChI:1S/C13H21Cl3O6/c1-2-3-18-4-5-19-6-7-20-8-9-21-10-11-22-12(17)13(14,15)16/h2H,1,3-11H2
InChIKey:BLWQCGSEGNGSEQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:379.661
Molecular Formula:C13H21Cl3O6
SMILES:ClC1COCCOCCOCCOCCOC(=O)C(Cl)(Cl)C1
InChI:1S/C13H21Cl3O6/c14-11-9-13(15,16)12(17)22-8-7-20-4-3-18-1-2-19-5-6-21-10-11/h11H,1-10H2
InChIKey:HDBVUKJJBIZNMG-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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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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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:272.599
Molecular Formula:C10H16Cl3NO
SMILES:CC(C)(C)N(CCC=C)C(=O)C(Cl)(Cl)Cl
InChI:1S/C10H16Cl3NO/c1-5-6-7-14(9(2,3)4)8(15)10(11,12)13/h5H,1,6-7H2,2-4H3
InChIKey:GIBLPTGKNWRNMJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:272.599
Molecular Formula:C10H16Cl3NO
SMILES:CC(C)(C)N1CCC(CCl)C(Cl)(Cl)C1=O
InChI:1S/C10H16Cl3NO/c1-9(2,3)14-5-4-7(6-11)10(12,13)8(14)15/h7H,4-6H2,1-3H3
InChIKey:ZEWOKYUZKDEDCB-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:433.812
Molecular Formula:C18H18BrCuN4
SMILES:[Cu]Br.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.BrH.Cu/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;;/h1-12H,13-15H2;1H;/q;;+1/p-1
InChIKey:WOSMGWVSIYWMBN-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:164.2077
Molecular Formula:C8H12N4
SMILES:CC(C)(\N=N\C(C)(C)C#N)C#N
InChI:1S/C8H12N4/c1-7(2,5-9)11-12-8(3,4)6-10/h1-4H3/b12-11+
InChIKey:OZAIFHULBGXAKX-VAWYXSNFSA-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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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
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SMILES:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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InChIKey:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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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:380.319
Molecular Formula:C19H26BrNO2
SMILES:COc1ccc(CN(C=C2CCCCC2)C(=O)C(C)(C)Br)cc1
InChI:1S/C19H26BrNO2/c1-19(2,20)18(22)21(13-15-7-5-4-6-8-15)14-16-9-11-17(23-3)12-10-16/h9-13H,4-8,14H2,1-3H3
InChIKey:NNMUWJRJNDUKOE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:380.319
Molecular Formula:C19H26BrNO2
SMILES:COc1ccc(CN2C(C(C)(C)C2=O)C2(Br)CCCCC2)cc1
InChI:1S/C19H26BrNO2/c1-18(2)16(19(20)11-5-4-6-12-19)21(17(18)22)13-14-7-9-15(23-3)10-8-14/h7-10,16H,4-6,11-13H2,1-3H3
InChIKey:MFQLVDUAEOJACS-UHFFFAOYSA-N
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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:316.277
Molecular Formula:C15H26BrNO
SMILES:CC(C)(C)N(C=C1CCCCC1)C(=O)C(C)(C)Br
InChI:1S/C15H26BrNO/c1-14(2,3)17(13(18)15(4,5)16)11-12-9-7-6-8-10-12/h11H,6-10H2,1-5H3
InChIKey:JZNOKYUYBWOPHL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:316.277
Molecular Formula:C15H26BrNO
SMILES:CC(C)(C)N1C(C(C)(C)C1=O)C1(Br)CCCCC1
InChI:1S/C15H26BrNO/c1-13(2,3)17-11(14(4,5)12(17)18)15(16)9-7-6-8-10-15/h11H,6-10H2,1-5H3
InChIKey:ATYQNKAJFCJNNQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:316.277
Molecular Formula:C15H26BrNO
SMILES:CC(C)CN(C=C1CCCCC1)C(=O)C(C)(C)Br
InChI:1S/C15H26BrNO/c1-12(2)10-17(14(18)15(3,4)16)11-13-8-6-5-7-9-13/h11-12H,5-10H2,1-4H3
InChIKey:OBTBOYSAQAGUFU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:316.277
Molecular Formula:C15H26BrNO
SMILES:CC(C)CN1C(C(C)(C)C1=O)C1(Br)CCCCC1
InChI:1S/C15H26BrNO/c1-11(2)10-17-12(14(3,4)13(17)18)15(16)8-6-5-7-9-15/h11-12H,5-10H2,1-4H3
InChIKey:WPIHPDAWGPYEGR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:429.189
Molecular Formula:C18H23Br2NO
SMILES:CC(C)(Br)C(=O)N(Cc1ccccc1Br)C=C1CCCCC1
InChI:1S/C18H23Br2NO/c1-18(2,20)17(22)21(12-14-8-4-3-5-9-14)13-15-10-6-7-11-16(15)19/h6-7,10-12H,3-5,8-9,13H2,1-2H3
InChIKey:FVMVYGGDZXIAHA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:429.189
Molecular Formula:C18H23Br2NO
SMILES:CC1(C)C(N(Cc2ccccc2Br)C1=O)C1(Br)CCCCC1
InChI:1S/C18H23Br2NO/c1-17(2)15(18(20)10-6-3-7-11-18)21(16(17)22)12-13-8-4-5-9-14(13)19/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3
InChIKey:BKCLGQHWYNOJMP-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:364.32
Molecular Formula:C19H26BrNO
SMILES:C[C@H](N(C=C(C)C)C(=O)C1(Br)CCCCC1)c1ccccc1
InChI:1S/C19H26BrNO/c1-15(2)14-21(16(3)17-10-6-4-7-11-17)18(22)19(20)12-8-5-9-13-19/h4,6-7,10-11,14,16H,5,8-9,12-13H2,1-3H3/t16-/m0/s1
InChIKey:FGMTYBHLUOJXFN-INIZCTEOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:364.32
Molecular Formula:C19H26BrNO
SMILES:C[C@H](N1C(C(C)(C)C1=O)C1(Br)CCCCC1)c1ccccc1
InChI:1S/C19H26BrNO/c1-14(15-10-6-4-7-11-15)21-16(18(2,3)17(21)22)19(20)12-8-5-9-13-19/h4,6-7,10-11,14,16H,5,8-9,12-13H2,1-3H3/t14-,16?/m0/s1
InChIKey:HKDBOWOJMAUKMI-LBAUFKAWSA-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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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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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:420.383
Molecular Formula:C22H30BrNO2
SMILES:COc1ccc(CN(C(=O)C(C)Br)C2=CC[C@]3(C)CCCCC3C2)cc1
InChI:1S/C22H30BrNO2/c1-16(23)21(25)24(15-17-7-9-20(26-3)10-8-17)19-11-13-22(2)12-5-4-6-18(22)14-19/h7-11,16,18H,4-6,12-15H2,1-3H3/t16?,18?,22-/m0/s1
InChIKey:UCXCLODMNBTJBY-QRFVXNFXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:339.4712
Molecular Formula:C22H29NO2
SMILES:COc1ccc(CN2C3CC4CCCC[C@@]4(C)CC3=C(C)C2=O)cc1
InChI:1S/C22H29NO2/c1-15-19-13-22(2)11-5-4-6-17(22)12-20(19)23(21(15)24)14-16-7-9-18(25-3)10-8-16/h7-10,17,20H,4-6,11-14H2,1-3H3/t17?,20?,22-/m0/s1
InChIKey:ORRSFUVUGLIWAU-QVHXHXEWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:337.4553
Molecular Formula:C22H27NO2
SMILES:COc1ccc(CN2C(=O)C(C)=C3C[C@]4(C)CCCCC4C=C23)cc1
InChI:1S/C22H27NO2/c1-15-19-13-22(2)11-5-4-6-17(22)12-20(19)23(21(15)24)14-16-7-9-18(25-3)10-8-16/h7-10,12,17H,4-6,11,13-14H2,1-3H3/t17?,22-/m0/s1
InChIKey:JUSAOMQWMRWMOF-UGNFMNBCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:640.777
Molecular Formula:C38H58BrNO2
SMILES:COc1ccc(CN(C(=O)C(C)Br)C2=CC[C@@]3(C)C(CCC4C5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CCC34)C2)cc1
InChI:1S/C38H58BrNO2/c1-25(2)9-8-10-26(3)33-17-18-34-32-16-13-29-23-30(19-21-37(29,5)35(32)20-22-38(33,34)6)40(36(41)27(4)39)24-28-11-14-31(42-7)15-12-28/h11-12,14-15,19,25-27,29,32-35H,8-10,13,16-18,20-24H2,1-7H3/t26-,27?,29?,32?,33-,34?,35?,37+,38-/m1/s1
InChIKey:BDZGPCJLZKOBFR-WZSZNMSKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:559.8647
Molecular Formula:C38H57NO2
SMILES:COc1ccc(CN2C3CC4CCC5C6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CCC5[C@@]4(C)CC3=C(C)C2=O)cc1
InChI:1S/C38H57NO2/c1-24(2)9-8-10-25(3)32-17-18-33-30-16-13-28-21-35-31(22-38(28,6)34(30)19-20-37(32,33)5)26(4)36(40)39(35)23-27-11-14-29(41-7)15-12-27/h11-12,14-15,24-25,28,30,32-35H,8-10,13,16-23H2,1-7H3/t25-,28?,30?,32-,33?,34?,35?,37-,38+/m1/s1
InChIKey:NWNIRCBXEOXWAA-KNQRHRNISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:557.8488
Molecular Formula:C38H55NO2
SMILES:COc1ccc(CN2C(=O)C(C)=C3C[C@@]4(C)C(CCC5C6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CCC45)C=C23)cc1
InChI:1S/C38H55NO2/c1-24(2)9-8-10-25(3)32-17-18-33-30-16-13-28-21-35-31(22-38(28,6)34(30)19-20-37(32,33)5)26(4)36(40)39(35)23-27-11-14-29(41-7)15-12-27/h11-12,14-15,21,24-25,28,30,32-34H,8-10,13,16-20,22-23H2,1-7H3/t25-,28?,30?,32-,33?,34?,37-,38+/m1/s1
InChIKey:GAWQVGADSLVUDC-MYWUHPBBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:333.4235
Molecular Formula:C22H23NO2
SMILES:COc1ccc(CN2C3CCCCC3=C(C2=O)c2ccccc2)cc1
InChI:1S/C22H23NO2/c1-25-18-13-11-16(12-14-18)15-23-20-10-6-5-9-19(20)21(22(23)24)17-7-3-2-4-8-17/h2-4,7-8,11-14,20H,5-6,9-10,15H2,1H3
InChIKey:NDVFWBKJZYYUKL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:331.4076
Molecular Formula:C22H21NO2
SMILES:COc1ccc(CN2C(=O)C(=C3CCCC=C23)c2ccccc2)cc1
InChI:1S/C22H21NO2/c1-25-18-13-11-16(12-14-18)15-23-20-10-6-5-9-19(20)21(22(23)24)17-7-3-2-4-8-17/h2-4,7-8,10-14H,5-6,9,15H2,1H3
InChIKey:NRZJYVPMOKCTGN-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:513.716
Molecular Formula:C18H18Br2CuN4
SMILES:Br[Cu]Br.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1
InChI:1S/C18H18N4.2BrH.Cu/c1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;;;/h1-12H,13-15H2;2*1H;/q;;;+2/p-2
InChIKey:OFRSKLUOEFDYJE-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.143
Molecular Formula:C6H10O
SMILES:C1CCC2OC2C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:130.1849
Molecular Formula:C7H14O2
SMILES:COC1CCCCC1O
InChI:1S/C7H14O2/c1-9-7-5-3-2-4-6(7)8/h6-8H,2-5H2,1H3
InChIKey:DCQQZLGQRIVCNH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:995.746
Molecular Formula:C56H51Fe2N8O3
SMILES:C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1.C(N(Cc1ccccn1)Cc1ccccn1)c1ccccn1.[Fe++]O[Fe+]OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
InChI:1S/C20H16O2.2C18H18N4.2Fe.O/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;;;/h1-15H,(H,21,22);2*1-12H,13-15H2;;;/q;;;2*+2;/p-1
InChIKey:DBIAYUXHWGSBCG-UHFFFAOYSA-M
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