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2,2,2-Trifluoro-1-methoxyethanol

  1. G. K. Surya Prakash,
  2. Zhe Zhang,
  3. Fang Wang

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01620

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Prakash, G. K. S., Zhang, Z. and Wang, F. 2013. 2,2,2-Trifluoro-1-methoxyethanol. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. University of Southern California, Los Angeles, CA, USA

Publication History

  1. Published Online: 16 SEP 2013

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  1. 1 - 134
Compound Information
Drug synonym:Not Available
Molecular Weight:130.0658
Molecular Formula:C3H5F3O2
SMILES:COC(O)C(F)(F)F
InChI:1S/C3H5F3O2/c1-8-2(7)3(4,5)6/h2,7H,1H3
InChIKey:GWTBCUWZAVMAQV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.0239
Molecular Formula:C2HF3O
SMILES:FC(F)(F)C=O
InChI:1S/C2HF3O/c3-2(4,5)1-6/h1H
InChIKey:JVTSHOJDBRTPHD-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:147.388
Molecular Formula:C2HCl3O
SMILES:ClC(Cl)(Cl)C=O
InChI:1S/C2HCl3O/c3-2(4,5)1-6/h1H
InChIKey:HFFLGKNGCAIQMO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:20.00634
Molecular Formula:FH
SMILES:F[H]
InChI:1S/FH/h1H
InChIKey:KRHYYFGTRYWZRS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:118.0303
Molecular Formula:C2H2F4O
SMILES:F.FC(F)(F)C=O
InChI:1S/C2HF3O.FH/c3-2(4,5)1-6;/h1H;1H
InChIKey:HZPZMZOSTCWEPB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.2212
Molecular Formula:C4H12O4Si
SMILES:CO[Si](OC)(OC)OC
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:60.052
Molecular Formula:C2H4O2
SMILES:COC=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:trifluoromethane
Molecular Weight:69.0059
Molecular Formula:CHF3
SMILES:F[C-](F)F
InChI:1S/CF3/c2-1(3)4/q-1
InChIKey:NYKUFCUBMAFLFF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:199.4831
Molecular Formula:C6H18KNSi2
SMILES:[K+].C[Si](C)(C)[N-][Si](C)(C)C
InChI:1S/C6H18NSi2.K/c1-8(2,3)7-9(4,5)6;/h1-6H3;/q-1;+1
InChIKey:IUBQJLUDMLPAGT-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: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: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:752.9589
Molecular Formula:C50H57O4P
SMILES:CC(C)C1=CC(C(C)C)=C(C(=C1)C(C)C)C1=CC2=CC=CC=C2C2=C1OP(O)(=O)OC1=C(C=C3C=CC=CC3=C21)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C
InChI:1S/C50H57O4P/c1-27(2)35-23-39(29(5)6)45(40(24-35)30(7)8)43-21-33-17-13-15-19-37(33)47-48-38-20-16-14-18-34(38)22-44(50(48)54-55(51,52)53-49(43)47)46-41(31(9)10)25-36(28(3)4)26-42(46)32(11)12/h13-32H,1-12H3,(H,51,52)
InChIKey:AGQAQYPGJDBIQR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:123.1525
Molecular Formula:C7H9NO
SMILES:[H]C1=C(N)C=CC(OC)=C1[H]
InChI:1S/C7H9NO/c1-9-7-4-2-6(8)3-5-7/h2-5H,8H2,1H3
InChIKey:BHAAPTBBJKJZER-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:235.203
Molecular Formula:C10H12F3NO2
SMILES:COC(Nc1ccc(OC)cc1)C(F)(F)F
InChI:1S/C10H12F3NO2/c1-15-8-5-3-7(4-6-8)14-9(16-2)10(11,12)13/h3-6,9,14H,1-2H3
InChIKey:ISIYFPNINBKFAI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:172.202
Molecular Formula:C7H8O3S
SMILES:CC1=CC=C(C=C1)S(O)(=O)=O
InChI:1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey:JOXIMZWYDAKGHI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.1678
Molecular Formula:C7H12O4
SMILES:CCOC(=O)CC(=O)OCC
InChI:1S/C7H12O4/c1-3-10-6(8)5-7(9)11-4-2/h3-5H2,1-2H3
InChIKey:IYXGSMUGOJNHAZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:363.3289
Molecular Formula:C16H20F3NO5
SMILES:CCOC(=O)C(C(Nc1ccc(OC)cc1)C(F)(F)F)C(=O)OCC
InChI:1S/C16H20F3NO5/c1-4-24-14(21)12(15(22)25-5-2)13(16(17,18)19)20-10-6-8-11(23-3)9-7-10/h6-9,12-13,20H,4-5H2,1-3H3
InChIKey:TUTZBHWVYGSWAT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:284.3065
Molecular Formula:C17H16O4
SMILES:O=C(CC(=O)OCC1=CC=CC=C1)OCC1=CC=CC=C1
InChI:1S/C17H16O4/c18-16(20-12-14-7-3-1-4-8-14)11-17(19)21-13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKey:RYFCSKVXWRJEOB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:487.4677
Molecular Formula:C26H24F3NO5
SMILES:COc1ccc(NC(C(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C(F)(F)F)cc1
InChI:1S/C26H24F3NO5/c1-33-21-14-12-20(13-15-21)30-23(26(27,28)29)22(24(31)34-16-18-8-4-2-5-9-18)25(32)35-17-19-10-6-3-7-11-19/h2-15,22-23,30H,16-17H2,1H3
InChIKey:YFLWOFIHTNQXFH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:132.1146
Molecular Formula:C5H8O4
SMILES:[H]C(C(=O)OC)C(=O)OC
InChI:1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3
InChIKey:BEPAFCGSDWSTEL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:335.2757
Molecular Formula:C14H16F3NO5
SMILES:COC(=O)C(C(Nc1ccc(OC)cc1)C(F)(F)F)C(=O)OC
InChI:1S/C14H16F3NO5/c1-21-9-6-4-8(5-7-9)18-11(14(15,16)17)10(12(19)22-2)13(20)23-3/h4-7,10-11,18H,1-3H3
InChIKey:RLIXQJAWXGVDOR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:240.1764
Molecular Formula:C9H11F3O4
SMILES:CCOC(=O)C(=CC(F)(F)F)C(=O)OCC
InChI:1S/C9H11F3O4/c1-3-15-7(13)6(5-9(10,11)12)8(14)16-4-2/h5H,3-4H2,1-2H3
InChIKey:RMSGBTXDUFHCEV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.0233
Molecular Formula:C2HF3O2
SMILES:OC(=O)C(F)(F)F
InChI:1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)
InChIKey:DTQVDTLACAAQTR-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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SMILES:Not Available
InChI:Not Available
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SMILES:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:364.3152
Molecular Formula:C19H15F3O4
SMILES:FC(F)(F)C=C(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChI:1S/C19H15F3O4/c20-19(21,22)11-16(17(23)25-12-14-7-3-1-4-8-14)18(24)26-13-15-9-5-2-6-10-15/h1-11H,12-13H2
InChIKey:ULTLLHBHZNPMIL-UHFFFAOYSA-N
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Compound Information
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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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:212.1233
Molecular Formula:C7H7F3O4
SMILES:COC(=O)C(=CC(F)(F)F)C(=O)OC
InChI:1S/C7H7F3O4/c1-13-5(11)4(6(12)14-2)3-7(8,9)10/h3H,1-2H3
InChIKey:ICGXEJXIILKMIG-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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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:225.2082
Molecular Formula:C9H14F3NO2
SMILES:FC(F)(F)[C@@H]1CC2(CCN1)OCCCO2
InChI:1S/C9H14F3NO2/c10-9(11,12)7-6-8(2-3-13-7)14-4-1-5-15-8/h7,13H,1-6H2/t7-/m0/s1
InChIKey:VXFIAJALPYGHMZ-ZETCQYMHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:120.368
Molecular Formula:MgO4S
SMILES:[Mg++].[O-]S([O-])(=O)=O
InChI:1S/Mg.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2
InChIKey:CSNNHWWHGAXBCP-UHFFFAOYSA-L
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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:1.00794
Molecular Formula:H
SMILES:[H+]
InChI:1S/p+1
InChIKey:GPRLSGONYQIRFK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:213.1975
Molecular Formula:C8H14F3NO2
SMILES:CC1(CC(N)C(F)(F)F)OCCCO1
InChI:1S/C8H14F3NO2/c1-7(13-3-2-4-14-7)5-6(12)8(9,10)11/h6H,2-5,12H2,1H3
InChIKey:QDYJCSPZDOHOIG-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:301.3041
Molecular Formula:C15H18F3NO2
SMILES:FC(F)(F)[C@@H]1CC2(C[C@@H](N1)c1ccccc1)OCCCO2
InChI:1S/C15H18F3NO2/c16-15(17,18)13-10-14(20-7-4-8-21-14)9-12(19-13)11-5-2-1-3-6-11/h1-3,5-6,12-13,19H,4,7-10H2/t12-,13+/m1/s1
InChIKey:XBPQSTUNDTVOFA-OLZOCXBDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:171.217
Molecular Formula:C7H9NO2S
SMILES:CC1=CC=C(C=C1)S(N)(=O)=O
InChI:1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10)
InChIKey:LMYRWZFENFIFIT-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:189.679
Molecular Formula:Cl4Ti
SMILES:Cl[Ti](Cl)(Cl)Cl
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:118.97
Molecular Formula:Cl2OS
SMILES:ClS(Cl)=O
InChI:1S/Cl2OS/c1-4(2)3
InChIKey:FYSNRJHAOHDILO-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:73.1368
Molecular Formula:C4H11N
SMILES:CCN(C)C
InChI:1S/C4H11N/c1-4-5(2)3/h4H2,1-3H3
InChIKey:DAZXVJBJRMWXJP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:87.1204
Molecular Formula:C4H9NO
SMILES:C1COCCN1
InChI:1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
InChIKey:YNAVUWVOSKDBBP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.2584
Molecular Formula:C6H12N2Si
SMILES:C[Si](C)(C)N1C=CN=C1
InChI:1S/C6H12N2Si/c1-9(2,3)8-5-4-7-6-8/h4-6H,1-3H3
InChIKey:YKFRUJSEPGHZFJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:257.3254
Molecular Formula:C9H18F3NO2Si
SMILES:C[Si](C)(C)OC(N1CCOCC1)C(F)(F)F
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:151.90385
Molecular Formula:CsF
SMILES:[F-].[Cs+]
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:176.2581
Molecular Formula:C11H16N2
SMILES:C(N1CCNCC1)C1=CC=CC=C1
InChI:1S/C11H16N2/c1-2-4-11(5-3-1)10-13-8-6-12-7-9-13/h1-5,12H,6-10H2
InChIKey:IQXXEPZFOOTTBA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:346.4632
Molecular Formula:C16H25F3N2OSi
SMILES:[H]C(O[Si](C)(C)C)(N1CCN(CC2=CC=CC=C2)CC1)C(F)(F)F
InChI:1S/C16H25F3N2OSi/c1-23(2,3)22-15(16(17,18)19)21-11-9-20(10-12-21)13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3
InChIKey:AZONQAJEJDTHSU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
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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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Compound Information
Drug synonym:Not Available
Molecular Weight:222.258
Molecular Formula:C4H9F3O3SSi
SMILES:C[Si](C)(C)OS(=O)(=O)C(F)(F)F
InChI:1S/C4H9F3O3SSi/c1-12(2,3)10-11(8,9)4(5,6)7/h1-3H3
InChIKey:FTVLMFQEYACZNP-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:89.1362
Molecular Formula:C4H11NO
SMILES:CCC(N)CO
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:169.1449
Molecular Formula:C6H10F3NO
SMILES:CCC1COC(N1)C(F)(F)F
InChI:1S/C6H10F3NO/c1-2-4-3-11-5(10-4)6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKey:KENMAISXTXACCY-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:103.1628
Molecular Formula:C5H13NO
SMILES:CC(C)C(N)CO
InChI:1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3
InChIKey:NWYYWIJOWOLJNR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:183.1715
Molecular Formula:C7H12F3NO
SMILES:CC(C)C1COC(N1)C(F)(F)F
InChI:1S/C7H12F3NO/c1-4(2)5-3-12-6(11-5)7(8,9)10/h4-6,11H,3H2,1-2H3
InChIKey:JLMJFFHXSADZTF-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:117.1894
Molecular Formula:C6H15NO
SMILES:CC(C)CC(N)CO
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:197.1981
Molecular Formula:C8H14F3NO
SMILES:CC(C)CC1COC(N1)C(F)(F)F
InChI:1S/C8H14F3NO/c1-5(2)3-6-4-13-7(12-6)8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKey:IYTIXZWGGKYGOR-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:117.1894
Molecular Formula:C6H15NO
SMILES:CC(C)(C)C(N)CO
InChI:1S/C6H15NO/c1-6(2,3)5(7)4-8/h5,8H,4,7H2,1-3H3
InChIKey:JBULSURVMXPBNA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:197.1981
Molecular Formula:C8H14F3NO
SMILES:CC(C)(C)C1COC(N1)C(F)(F)F
InChI:1S/C8H14F3NO/c1-7(2,3)5-4-13-6(12-5)8(9,10)11/h5-6,12H,4H2,1-3H3
InChIKey:HPXXXKGDPAYBCW-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:135.228
Molecular Formula:C5H13NOS
SMILES:CSCCC(N)CO
InChI:1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3
InChIKey:MIQJGZAEWQQAPN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:215.236
Molecular Formula:C7H12F3NOS
SMILES:CSCCC1COC(N1)C(F)(F)F
InChI:1S/C7H12F3NOS/c1-13-3-2-5-4-12-6(11-5)7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKey:AZIGFBFORSEYND-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:181.2331
Molecular Formula:C13H11N
SMILES:N=C(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C13H11N/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,14H
InChIKey:SXZIXHOMFPUIRK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:351.4382
Molecular Formula:C18H20F3NOSi
SMILES:C[Si](C)(C)OC(N=C(c1ccccc1)c1ccccc1)C(F)(F)F
InChI:1S/C18H20F3NOSi/c1-24(2,3)23-17(18(19,20)21)22-16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,17H,1-3H3
InChIKey:JWWPICQAVQFYBQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.2609
Molecular Formula:C6H14Si
SMILES:C[Si](C)(C)CC=C
InChI:1S/C6H14Si/c1-5-6-7(2,3)4/h5H,1,6H2,2-4H3
InChIKey:HYWCXWRMUZYRPH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:175.58
Molecular Formula:C5H9ClF3N
SMILES:[Cl-].[NH3+]C(CC=C)C(F)(F)F
InChI:1S/C5H8F3N.ClH/c1-2-3-4(9)5(6,7)8;/h2,4H,1,3,9H2;1H
InChIKey:NTXOWAXRHYWWNJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:141.928
Molecular Formula:C4H10BF3O
SMILES:FB(F)F.CCOCC
InChI:1S/C4H10O.BF3/c1-3-5-4-2;2-1(3)4/h3-4H2,1-2H3;
InChIKey:KZMGYPLQYOPHEL-UHFFFAOYSA-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:160.3
Molecular Formula:C3H5KOS2
SMILES:[K+].CCOC([S-])=S
InChI:1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
InChIKey:JCBJVAJGLKENNC-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:102.0886
Molecular Formula:C4H6O3
SMILES:CC(=O)OC(C)=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:262.27
Molecular Formula:C7H9F3O3S2
SMILES:CCOC(=S)SC(OC(C)=O)C(F)(F)F
InChI:1S/C7H9F3O3S2/c1-3-12-6(14)15-5(7(8,9)10)13-4(2)11/h5H,3H2,1-2H3
InChIKey:GBJCWNXHXCSAMR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.078
Molecular Formula:H2O4S
SMILES:OS(O)(=O)=O
InChI:1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
InChIKey:QAOWNCQODCNURD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:238.679
Molecular Formula:C5H6ClF3OS2
SMILES:CCOC(=S)SC(Cl)C(F)(F)F
InChI:1S/C5H6ClF3OS2/c1-2-10-4(11)12-3(6)5(7,8)9/h3H,2H2,1H3
InChIKey:KYELFCXRGPCIRI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:208.239
Molecular Formula:Cl5P
SMILES:ClP(Cl)(Cl)(Cl)Cl
InChI:1S/Cl5P/c1-6(2,3,4)5
InChIKey:UHZYTMXLRWXGPK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:68.0773
Molecular Formula:C3H4N2
SMILES:N1C=CN=C1
InChI:1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
InChIKey:RAXXELZNTBOGNW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.1012
Molecular Formula:C5H5F3N2O
SMILES:OC(c1c[nH]cn1)C(F)(F)F
InChI:1S/C5H5F3N2O/c6-5(7,8)4(11)3-1-9-2-10-3/h1-2,4,11H,(H,9,10)
InChIKey:UEYYZTGTKXAZTJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.1012
Molecular Formula:C5H5F3N2O
SMILES:OC(c1ncc[nH]1)C(F)(F)F
InChI:1S/C5H5F3N2O/c6-5(7,8)3(11)4-9-1-2-10-4/h1-3,11H,(H,9,10)
InChIKey:MKTAGPGPPNUHJX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:264.1252
Molecular Formula:C7H6F6N2O2
SMILES:OC(c1c[nH]c(n1)C(O)C(F)(F)F)C(F)(F)F
InChI:1S/C7H6F6N2O2/c8-6(9,10)3(16)2-1-14-5(15-2)4(17)7(11,12)13/h1,3-4,16-17H,(H,14,15)
InChIKey:AQEGTAOTYVBEDM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:67.0892
Molecular Formula:C4H5N
SMILES:N1C=CC=C1
InChI:1S/C4H5N/c1-2-4-5-3-1/h1-5H
InChIKey:KAESVJOAVNADME-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:214.1871
Molecular Formula:C10H9F3N2
SMILES:FC(F)(F)C(c1ccc[nH]1)c1ccc[nH]1
InChI:1S/C10H9F3N2/c11-10(12,13)9(7-3-1-5-14-7)8-4-2-6-15-8/h1-6,9,14-15H
InChIKey:BPICCHOQHDQPCU-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:582.3438
Molecular Formula:C24H10F12N4
SMILES:FC(F)(F)c1c2ccc(n2)c(c2ccc([nH]2)c(c2ccc(n2)c(c2ccc1[nH]2)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI:1S/C24H10F12N4/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13/h1-8,37,40H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+
InChIKey:WVGOEXOYKRVJPB-OTHQCIQNSA-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:326.4326
Molecular Formula:C20H26N2O2
SMILES:[H][C@@]12CCN(CC1CC)[C@@]([H])(C2)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12
InChI:1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3/t13?,14-,19-,20+/m0/s1
InChIKey:LJOQGZACKSYWCH-MYUJHIMRSA-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:67.806
Molecular Formula:BF3
SMILES:FB(F)F
InChI:1S/BF3/c2-1(3)4
InChIKey:WTEOIRVLGSZEPR-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:ethanoic acid
Molecular Weight:60.052
Molecular Formula:C2H4O2
SMILES:CC(O)=O
InChI:1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey:QTBSBXVTEAMEQO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:83.1317
Molecular Formula:C5H9N
SMILES:CC(C)(C)C#N
InChI:1S/C5H9N/c1-5(2,3)4-6/h1-3H3
InChIKey:JAMNHZBIQDNHMM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:241.2076
Molecular Formula:C9H14F3NO3
SMILES:CC(=O)OC(C(=O)NC(C)(C)C)C(F)(F)F
InChI:1S/C9H14F3NO3/c1-5(14)16-6(9(10,11)12)7(15)13-8(2,3)4/h6H,1-4H3,(H,13,15)
InChIKey:XTVXBXDRHZTDNC-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:256.32
Molecular Formula:C15H12O2S
SMILES:CSc1ccc(cc1)C(=O)C(=O)c1ccccc1
InChI:1S/C15H12O2S/c1-18-13-9-7-12(8-10-13)15(17)14(16)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey:PEQHNBAATLMGFG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:334.359
Molecular Formula:C17H13F3N2S
SMILES:CSc1ccc(cc1)-c1nc([nH]c1-c1ccccc1)C(F)(F)F
InChI:1S/C17H13F3N2S/c1-23-13-9-7-12(8-10-13)15-14(11-5-3-2-4-6-11)21-16(22-15)17(18,19)20/h2-10H,1H3,(H,21,22)
InChIKey:WSCSSEVGQDYNEQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:77.0825
Molecular Formula:C2H7NO2
SMILES:[NH4+].CC([O-])=O
InChI:1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3
InChIKey:USFZMSVCRYTOJT-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:503.566
Molecular Formula:C21H33N3O9S
SMILES:CC(=O)OC[C@H]1O[C@@H](NC(=S)N[C@@H]2CCCC[C@H]2N)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChI:1S/C21H33N3O9S/c1-10(25)29-9-16-17(30-11(2)26)18(31-12(3)27)19(32-13(4)28)20(33-16)24-21(34)23-15-8-6-5-7-14(15)22/h14-20H,5-9,22H2,1-4H3,(H2,23,24,34)/t14-,15-,16-,17-,18+,19-,20-/m1/s1
InChIKey:JSUQXDLAAYLMNS-BYXVQRNISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:292.288
Molecular Formula:C11H17O5PS
SMILES:[CH3:13][CH2:12][O:11][P:9](=[O:10])([CH2:8][S:7](=O)(=O)[C:1]1=[CH:6][CH:5]=[CH:4][CH:3]=[CH:2]1)[O:14][CH2:15][CH3:16]
InChI:1S/C11H17O5PS/c1-3-15-17(12,16-4-2)10-18(13,14)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3
InChIKey:RCSDMTWWPNXXPP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.211
Molecular Formula:C9H7F3O2S
SMILES:FC(F)(F)\C=C\S(=O)(=O)C1=CC=CC=C1
InChI:1S/C9H7F3O2S/c10-9(11,12)6-7-15(13,14)8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKey:MXCAYGIFNXCLMK-VOTSOKGWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:285.2964
Molecular Formula:C12H19N3O5
SMILES:CC1(C)O[C@H]2O[C@H](CN=[N+]=[N-])[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1
InChI:1S/C12H19N3O5/c1-11(2)17-7-6(5-14-15-13)16-10-9(8(7)18-11)19-12(3,4)20-10/h6-10H,5H2,1-4H3/t6-,7+,8+,9-,10-/m1/s1
InChIKey:KIBLVBPHQCVUFG-SOYHJAILSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:379.3316
Molecular Formula:C15H20F3N3O5
SMILES:CC1(C)O[C@H]2O[C@H](Cn3cc(nn3)C(F)(F)F)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1
InChI:1S/C15H20F3N3O5/c1-13(2)23-9-7(5-21-6-8(19-20-21)15(16,17)18)22-12-11(10(9)24-13)25-14(3,4)26-12/h6-7,9-12H,5H2,1-4H3/t7-,9+,10+,11-,12-/m1/s1
InChIKey:SRGDYIWQQQZYDJ-NBIDRCSRSA-N
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