Standard Article

Oxindole; Isatin; 1H-Indole-2,3-dione

  1. Elisa G. Gutierrez,
  2. Annaliese K. Franz

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rn01611

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Gutierrez, E. G. and Franz, A. K. 2013. Oxindole; Isatin; 1H-Indole-2,3-dione. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. University of California, Davis, CA, USA

Publication History

  1. Published Online: 16 SEP 2013

Featured Compounds

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  1. 1 - 80
Compound Information
Drug synonym:Not Available
Molecular Weight:147.1308
Molecular Formula:C8H5NO2
SMILES:O=C1NC2=CC=CC=C2C1=O
InChI:1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
InChIKey:JXDYKVIHCLTXOP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:93.1265
Molecular Formula:C6H7N
SMILES:[H]C1=C([H])C([H])=C(N)C=C1
InChI:1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKey:PAYRUJLWNCNPSJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:2,2,2‐trichloro‐1,1‐ethanediol, Aquachloral, Chloradorm, chloral hydrate, Chloraldurat, Cohidrate, Lanchloral … … … …
Molecular Weight:165.403
Molecular Formula:C2H3Cl3O2
SMILES:OC(O)C(Cl)(Cl)Cl
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.1613
Molecular Formula:C8H8N2O2
SMILES:O\N=[CH:9]\[C:8](=O)[NH:7][C:5]1=[CH:4][CH:3]=[CH:2][CH:1]=[CH:6]1
InChI:1S/C8H8N2O2/c11-8(6-9-12)10-7-4-2-1-3-5-7/h1-6,12H,(H,10,11)/b9-6+
InChIKey:UFNDNNCDEFJCHU-RMKNXTFCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:69.491
Molecular Formula:ClH4NO
SMILES:Cl.NO
InChI:1S/ClH.H3NO/c;1-2/h1H;2H,1H2
InChIKey:WTDHULULXKLSOZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:142.042
Molecular Formula:Na2O4S
SMILES:[Na+].[Na+].[O-]S([O-])(=O)=O
InChI:1S/2Na.H2O4S/c;;1-5(2,3)4/h;;(H2,1,2,3,4)/q2*+1;/p-2
InChIKey:PMZURENOXWZQFD-UHFFFAOYSA-L
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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: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:164.2011
Molecular Formula:C10H12O2
SMILES:COC(=O)CCC1=CC=CC=C1
InChI:1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKey:RPUSRLKKXPQSGP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:251.323
Molecular Formula:C17H17NO
SMILES:OCC(Cc1ccccc1)c1c[nH]c2ccccc12
InChI:1S/C17H17NO/c19-12-14(10-13-6-2-1-3-7-13)16-11-18-17-9-5-4-8-15(16)17/h1-9,11,14,18-19H,10,12H2
InChIKey:IORPUVWDPYMFES-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:107.123
Molecular Formula:C6H14LiN
SMILES:[Li+].CC(C)[N-]C(C)C
InChI:1S/C6H14N.Li/c1-5(2)7-6(3)4;/h5-6H,1-4H3;/q-1;+1
InChIKey:ZCSHNCUQKCANBX-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: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:337.782
Molecular Formula:C20H17ClNP
SMILES:[Cl-].N#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChI:1S/C20H17NP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15H,17H2;1H/q+1;/p-1
InChIKey:ARPLQAMUUDIHIT-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:172.1833
Molecular Formula:C10H8N2O
SMILES:O=C1Nc2ccccc2C1CC#N
InChI:1S/C10H8N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5H2,(H,12,13)
InChIKey:HGYKSFCCBATMSI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:129.2432
Molecular Formula:C8H19N
SMILES:CCN(C(C)C)C(C)C
InChI:1S/C8H19N/c1-6-9(7(2)3)8(4)5/h7-8H,6H2,1-5H3
InChIKey:JGFZNNIVVJXRND-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:37.833
Molecular Formula:BH4Na
SMILES:[Na+].[H][B-]([H])([H])[H]
InChI:1S/BH4.Na/h1H4;/q-1;+1
InChIKey:YOQDYZUWIQVZSF-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:217.2206
Molecular Formula:C12H11NO3
SMILES:CCCC(=O)N1C(=O)C(=O)c2ccccc12
InChI:1S/C12H11NO3/c1-2-5-10(14)13-9-7-4-3-6-8(9)11(15)12(13)16/h3-4,6-7H,2,5H2,1H3
InChIKey:LYWOFWNKZLWLPZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:173.2542
Molecular Formula:C12H15N
SMILES:CCCCN1C=CC2=CC=CC=C12
InChI:1S/C12H15N/c1-2-3-9-13-10-8-11-6-4-5-7-12(11)13/h4-8,10H,2-3,9H2,1H3
InChIKey:PSGFPTUMYLIVDX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:85.941
Molecular Formula:C4H11BO
SMILES:[H]B([H])[H].C1CCOC1
InChI:1S/C4H8O.BH3/c1-2-4-5-3-1;/h1-4H2;1H3
InChIKey:RMCYTHFAWCWRFA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:363.4113
Molecular Formula:C24H17N3O
SMILES:O=C1Nc2ccccc2C1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChI:1S/C24H17N3O/c28-23-24(17-9-3-6-12-22(17)27-23,18-13-25-20-10-4-1-7-15(18)20)19-14-26-21-11-5-2-8-16(19)21/h1-14,25-26H,(H,27,28)
InChIKey:BSOAGODEMKWJIG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:656.188
Molecular Formula:C3BiF9O9S3
SMILES:FC(F)(F)S(=O)(=O)O[Bi](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
InChI:1S/3CHF3O3S.Bi/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
InChIKey:NYENCOMLZDQKNH-UHFFFAOYSA-K
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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: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:225.2426
Molecular Formula:C14H11NO2
SMILES:O[C@@]1(C(=O)Nc2ccccc12)c1ccccc1
InChI:1S/C14H11NO2/c16-13-14(17,10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-13/h1-9,17H,(H,15,16)/t14-/m0/s1
InChIKey:CYPJCGXWLXXEHL-AWEZNQCLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:225.2426
Molecular Formula:C14H11NO2
SMILES:O[C@]1(C(=O)Nc2ccccc12)c1ccccc1
InChI:1S/C14H11NO2/c16-13-14(17,10-6-2-1-3-7-10)11-8-4-5-9-12(11)15-13/h1-9,17H,(H,15,16)/t14-/m1/s1
InChIKey:CYPJCGXWLXXEHL-CQSZACIVSA-N
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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:426.508
Molecular Formula:C24H27O3PS
SMILES:COc1ccc(c(P(c2ccccc2)c2ccccc2)c1OC)[S@](=O)C(C)(C)C
InChI:1S/C24H27O3PS/c1-24(2,3)29(25)21-17-16-20(26-4)22(27-5)23(21)28(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17H,1-5H3/t29-/m0/s1
InChIKey:QFDIHKFYKTXZAO-LJAQVGFWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:58.0791
Molecular Formula:C3H6O
SMILES:CC(C)=O
InChI:1S/C3H6O/c1-3(2)4/h1-2H3
InChIKey:CSCPPACGZOOCGX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:205.2099
Molecular Formula:C11H11NO3
SMILES:CC(=O)C[C@]1(O)C(=O)Nc2ccccc12
InChI:1S/C11H11NO3/c1-7(13)6-11(15)8-4-2-3-5-9(8)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)/t11-/m1/s1
InChIKey:CBMTTXBZZZABGG-LLVKDONJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:205.2099
Molecular Formula:C11H11NO3
SMILES:CC(=O)C[C@@]1(O)C(=O)Nc2ccccc12
InChI:1S/C11H11NO3/c1-7(13)6-11(15)8-4-2-3-5-9(8)12-10(11)14/h2-5,15H,6H2,1H3,(H,12,14)/t11-/m0/s1
InChIKey:CBMTTXBZZZABGG-NSHDSACASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:117.1894
Molecular Formula:C6H15NO
SMILES:[H][C@@](N)(CO)CC(C)C
InChI:Not Available
InChIKey:Not Available
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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: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:189.2105
Molecular Formula:C11H11NO2
SMILES:O[C@@]1(CC=C)C(=O)Nc2ccccc12
InChI:1S/C11H11NO2/c1-2-7-11(14)8-5-3-4-6-9(8)12-10(11)13/h2-6,14H,1,7H2,(H,12,13)/t11-/m1/s1
InChIKey:DFYBEJXLQXRVCP-LLVKDONJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:189.2105
Molecular Formula:C11H11NO2
SMILES:O[C@]1(CC=C)C(=O)Nc2ccccc12
InChI:1S/C11H11NO2/c1-2-7-11(14)8-5-3-4-6-9(8)12-10(11)13/h2-6,14H,1,7H2,(H,12,13)/t11-/m0/s1
InChIKey:DFYBEJXLQXRVCP-NSHDSACASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:885.601
Molecular Formula:C28H19F9N3O11S3Sc
SMILES:FC(F)(F)S(=O)(=O)O[Sc](OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.C1[C@H]2OC(=N[C@H]2c2ccccc12)c1cccc(n1)C1=N[C@@H]2[C@@H](Cc3ccccc23)O1
InChI:1S/C25H19N3O2.3CHF3O3S.Sc/c1-3-8-16-14(6-1)12-20-22(16)27-24(29-20)18-10-5-11-19(26-18)25-28-23-17-9-4-2-7-15(17)13-21(23)30-25;3*2-1(3,4)8(5,6)7;/h1-11,20-23H,12-13H2;3*(H,5,6,7);/q;;;;+3/p-3/t20-,21-,22+,23+;;;;/m1..../s1
InChIKey:KJEKGDZPNKEGLR-UNLZZCTJSA-K
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Compound Information
Drug synonym:Not Available
Molecular Weight:258.74
Molecular Formula:F6NaSb
SMILES:[Na+].F[Sb-](F)(F)(F)(F)F
InChI:1S/6FH.Na.Sb/h6*1H;;/q;;;;;;+1;+5/p-6
InChIKey:HKLMYZVMEYYVBS-UHFFFAOYSA-H
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Compound Information
Drug synonym:Not Available
Molecular Weight:108.642
Molecular Formula:C3H9ClSi
SMILES:C[Si](C)(C)Cl
InChI:1S/C3H9ClSi/c1-5(2,3)4/h1-3H3
InChIKey:IJOOHPMOJXWVHK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:66.0614
Molecular Formula:C3H2N2
SMILES:N#CCC#N
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:acetylacetone
Molecular Weight:100.1158
Molecular Formula:C5H8O2
SMILES:CC(=O)CC(C)=O
InChI:1S/C5H8O2/c1-4(6)3-5(2)7/h3H2,1-2H3
InChIKey:YRKCREAYFQTBPV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:295.2927
Molecular Formula:C16H13N3O3
SMILES:CC(=O)C1=C(C)OC(N)=C(C#N)C11C(=O)Nc2ccccc12
InChI:1S/C16H13N3O3/c1-8(20)13-9(2)22-14(18)11(7-17)16(13)10-5-3-4-6-12(10)19-15(16)21/h3-6H,18H2,1-2H3,(H,19,21)
InChIKey:CXAUWNQUZMMPGF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:310.3902
Molecular Formula:C19H22N2O2
SMILES:[H][C@@]12CCN(C[C@@H]1C=C)[C@@H](C2)[C@H](O)C1=CC=NC2=CC=C(O)C=C12
InChI:1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12-,13-,18-,19+/m0/s1
InChIKey:VJFMSYZSFUWQPZ-BIPCEHGGSA-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:186.2497
Molecular Formula:C13H14O
SMILES:CCCCC#CC1=C(C=O)C=CC=C1
InChI:1S/C13H14O/c1-2-3-4-5-8-12-9-6-7-10-13(12)11-14/h6-7,9-11H,2-4H2,1H3
InChIKey:FETDVTPMFRPTLM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:333.3805
Molecular Formula:C21H19NO3
SMILES:CCCC\C=C1/c2ccccc2C(=O)O[C@@]11C(=O)Nc2ccccc12
InChI:1S/C21H19NO3/c1-2-3-4-11-16-14-9-5-6-10-15(14)19(23)25-21(16)17-12-7-8-13-18(17)22-20(21)24/h5-13H,2-4H2,1H3,(H,22,24)/b16-11+/t21-/m0/s1
InChIKey:CNOGDKSXBHNAIY-HZBHDWBUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:333.3805
Molecular Formula:C21H19NO3
SMILES:CCCC\C=C1/c2ccccc2C(=O)O[C@]11C(=O)Nc2ccccc12
InChI:1S/C21H19NO3/c1-2-3-4-11-16-14-9-5-6-10-15(14)19(23)25-21(16)17-12-7-8-13-18(17)22-20(21)24/h5-13H,2-4H2,1H3,(H,22,24)/b16-11+/t21-/m1/s1
InChIKey:CNOGDKSXBHNAIY-RBNQXFGJSA-N
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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:161.1574
Molecular Formula:C9H7NO2
SMILES:CN1C(=O)C(=O)C2=C1C=CC=C2
InChI:1S/C9H7NO2/c1-10-7-5-3-2-4-6(7)8(11)9(10)12/h2-5H,1H3
InChIKey:VCYBVWFTGAZHGH-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:94.939
Molecular Formula:CH3Br
SMILES:CBr
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:50.488
Molecular Formula:CH3Cl
SMILES:[CH3:1][Cl:2]
InChI:1S/CH3Cl/c1-2/h1H3
InChIKey:NEHMKBQYUWJMIP-UHFFFAOYSA-N
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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:189.1675
Molecular Formula:C10H7NO3
SMILES:CC(=O)N1C(=O)C(=O)C2=C1C=CC=C2
InChI:1S/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
InChIKey:LPGDEHBASRKTDG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:79.0999
Molecular Formula:C5H5N
SMILES:C1=CC=NC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.557
Molecular Formula:C6H5Cl
SMILES:ClC1=CC=CC=C1
InChI:1S/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
InChIKey:MVPPADPHJFYWMZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:223.2268
Molecular Formula:C14H9NO2
SMILES:[H]C1=C2C(=O)C(=O)N(C2=CC=C1)C1=CC=CC=C1
InChI:1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)15(14(13)17)10-6-2-1-3-7-10/h1-9H
InChIKey:UWCPWBIMRYXUOU-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: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:237.2533
Molecular Formula:C15H11NO2
SMILES:Cc1ccc(cc1)N1C(=O)C(=O)c2ccccc12
InChI:1S/C15H11NO2/c1-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14(17)15(16)18/h2-9H,1H3
InChIKey:MFXRACFNCGDEFP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:181.634
Molecular Formula:C4H6CuO4
SMILES:[Cu++].CC([O-])=O.CC([O-])=O
InChI:1S/2C2H4O2.Cu/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey:OPQARKPSCNTWTJ-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:440.2921
Molecular Formula:C18H15Bi
SMILES:C1=CC=C(C=C1)[Bi](C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/3C6H5.Bi/c3*1-2-4-6-5-3-1;/h3*1-5H;
InChIKey:ZHXAZZQXWJJBHA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:204.0084
Molecular Formula:C6H5I
SMILES:IC1=CC=CC=C1
InChI:1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
InChIKey:SNHMUERNLJLMHN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:325.8091
Molecular Formula:La2O3
SMILES:[O--].[O--].[O--].[La+3].[La+3]
InChI:1S/2La.3O/q2*+3;3*-2
InChIKey:MRELNEQAGSRDBK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.1515
Molecular Formula:C4H12N2
SMILES:CNCCNC
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:56.1056
Molecular Formula:HKO
SMILES:[K+].[O-][H]
InChI:1S/K.H2O/h;1H2/q+1;/p-1
InChIKey:KWYUFKZDYYNOTN-UHFFFAOYSA-M
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Compound Information
Drug synonym:dimethyl sulphoxide
Molecular Weight:78.133
Molecular Formula:C2H6OS
SMILES:CS(C)=O
InChI:1S/C2H6OS/c1-4(2)3/h1-2H3
InChIKey:IAZDPXIOMUYVGZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:181.576
Molecular Formula:C8H4ClNO2
SMILES:[H]N1C(=O)C(=O)C2=CC(Cl)=CC=C12
InChI:1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)
InChIKey:XHDJYQWGFIBCEP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:219.946
Molecular Formula:C3Cl2N3NaO3
SMILES:[Na+].[O-]c1nc(=O)n(Cl)c(=O)n1Cl
InChI:1S/C3HCl2N3O3.Na/c4-7-1(9)6-2(10)8(5)3(7)11;/h(H,6,9,10);/q;+1/p-1
InChIKey:MSFGZHUJTJBYFA-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:216.021
Molecular Formula:C8H3Cl2NO2
SMILES:ClC1=CC2=C(NC(=O)C2=O)C(Cl)=C1
InChI:1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)
InChIKey:AYGGQJHJRFZDFH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Symclosene
Molecular Weight:232.409
Molecular Formula:C3Cl3N3O3
SMILES:ClN1C(=O)N(Cl)C(=O)N(Cl)C1=O
InChI:1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
InChIKey:YRIZYWQGELRKNT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:162.1454
Molecular Formula:C8H6N2O2
SMILES:O=C1NC(=O)C2=CC=CC=C2N1
InChI:1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
InChIKey:SDQJTWBNWQABLE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:115.2092
Molecular Formula:C3H9N3Si
SMILES:C[Si](C)(C)N=[N+]=[N-]
InChI:1S/C3H9N3Si/c1-7(2,3)6-5-4/h1-3H3
InChIKey:SEDZOYHHAIAQIW-UHFFFAOYSA-N
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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:163.1302
Molecular Formula:C8H5NO3
SMILES:O=C1NC2=C(C=CC=C2)C(=O)O1
InChI:1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)9-8(11)12-7/h1-4H,(H,9,11)
InChIKey:TXJUTRJFNRYTHH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:94.0699
Molecular Formula:CH6N2O3
SMILES:OO.NC(N)=O
InChI:1S/CH4N2O.H2O2/c2-1(3)4;1-2/h(H4,2,3,4);1-2H
InChIKey:AQLJVWUFPCUVLO-UHFFFAOYSA-N
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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:163.1302
Molecular Formula:C8H5NO3
SMILES:O=c1[nH]c2ccccc2oc1=O
InChI:1S/C8H5NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,10)
InChIKey:MNDKNFRJYMSGTH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:270.322
Molecular Formula:K2O8S2
SMILES:[K+].[K+].[O-]S(=O)(=O)OOS([O-])(=O)=O
InChI:Not Available
InChIKey:Not Available
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