 | | FXY | | Name: | 1-METHYLHEPTYLFORMAMIDE | | Formula: | C9 H19 N O | | SMILES: | O=CNC(CCCCCC)C | | InChi: | InChI=1S/C9H19NO/c1-3-4-5-6-7-9(2)10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)/t9-/m1/s1 | | Synonyms: | N-1-METHYLHEPTYLFORMAMIDE | | Definition date: | 2004-07-25 | | Last modified: | 2020-06-17 | | Identifier: | N-[(1R)-1-methylheptyl]formamide |
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 | | 42E | | Name: | [(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate | | Formula: | C8 H12 N3 O6 P S | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CS2 | | InChi: | InChI=1S/C8H12N3O6PS/c9-5-1-2-11(8(12)10-5)6-4-19-7(17-6)3-16-18(13,14)15/h1-2,6-7H,3-4H2,(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1 | | Synonyms: | 3TC-MP | | Definition date: | 2015-01-29 | | Last modified: | 2020-06-17 | | Release date: | 2017-01-11 | | Identifier: | [(2R,5S)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl dihydrogen phosphate |
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 | | 42G | | Name: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide | | Formula: | C21 H29 N3 O5 S | | SMILES: | c1(S(=O)(=O)N)ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(O)CNC(C)C | | InChi: | InChI=1S/C21H29N3O5S/c1-15(2)24-13-18(25)14-29-19-7-5-17(6-8-19)21(26)23-12-11-16-3-9-20(10-4-16)30(22,27)28/h3-10,15,18,24-25H,11-14H2,1-2H3,(H,23,26)(H2,22,27,28)/t18-/m1/s1 | | Synonyms: | aryloxy-2-hydroxypropylammine sulfonamide | | Definition date: | 2017-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-01 | | Identifier: | 4-{(2R)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}-N-[2-(4-sulfamoylphenyl)ethyl]benzamide |
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 | | 42T | | Name: | 3-{[(2,6-dichlorophenyl)carbamoyl]amino}-N-hydroxy-N'-phenyl-5-(trifluoromethyl)benzenecarboximidamide | | Formula: | C21 H15 Cl2 F3 N4 O2 | | SMILES: | Clc3cccc(Cl)c3NC(=O)Nc2cc(C(=Nc1ccccc1)/NO)cc(c2)C(F)(F)F | | InChi: | InChI=1S/C21H15Cl2F3N4O2/c22-16-7-4-8-17(23)18(16)29-20(31)28-15-10-12(9-13(11-15)21(24,25)26)19(30-32)27-14-5-2-1-3-6-14/h1-11,32H,(H,27,30)(H2,28,29,31) | | Synonyms: | CBR-9379 | | Definition date: | 2015-01-23 | | Last modified: | 2020-06-17 | | Release date: | 2015-07-22 | | Identifier: | 3-{[(2,6-dichlorophenyl)carbamoyl]amino}-N-hydroxy-N'-phenyl-5-(trifluoromethyl)benzenecarboximidamide |
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 | | G1K | | Name: | 5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid | | Formula: | C17 H17 N3 O6 | | SMILES: | C3(NC(C2N(C(COc1ccccc1)=O)CCC2)=NC(=C3O)C(O)=O)=O | | InChi: | InChI=1S/C17H17N3O6/c21-12(9-26-10-5-2-1-3-6-10)20-8-4-7-11(20)15-18-13(17(24)25)14(22)16(23)19-15/h1-3,5-6,11,22H,4,7-9H2,(H,24,25)(H,18,19,23)/t11-/m0/s1 | | Synonyms: | SRI-29680 | | Definition date: | 2017-07-11 | | Last modified: | 2020-06-17 | | Release date: | 2018-01-03 | | Identifier: | 5-hydroxy-6-oxo-2-[(2S)-1-(phenoxyacetyl)pyrrolidin-2-yl]-1,6-dihydropyrimidine-4-carboxylic acid |
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 | | G24 | | Name: | [4-(3-BENZYL-4-HYDROXYBENZYL)-3,5-DIMETHYLPHENOXY]ACETIC ACID | | Formula: | C24 H24 O4 | | SMILES: | O=C(O)COc1cc(c(c(c1)C)Cc2ccc(O)c(c2)Cc3ccccc3)C | | InChi: | InChI=1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27) | | Synonyms: | GC-24 | | Definition date: | 2003-08-15 | | Last modified: | 2020-06-17 | | Identifier: | [4-(3-benzyl-4-hydroxybenzyl)-3,5-dimethylphenoxy]acetic acid |
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 | | G26 | | Name: | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-METHYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
(HYDROXYMETHYL-2-PHENYLETHYL)AMIDE | | Formula: | C32 H38 N4 O4 S | | SMILES: | O=C(NC(C(=O)NCc1ccccc1)C2SC(C(N2)C(=O)NC(Cc3ccccc3)CO)(C)C)Cc4ccccc4 | | InChi: | InChI=1S/C32H38N4O4S/c1-32(2)28(30(40)34-25(21-37)18-22-12-6-3-7-13-22)36-31(41-32)27(29(39)33-20-24-16-10-5-11-17-24)35-26(38)19-23-14-8-4-9-15-23/h3-17,25,27-28,31,36-37H,18-21H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)/t25-,27-,28+,31-/m1/s1 | | Synonyms: | GR126045 | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (2R,4S)-2-{(1R)-2-(benzylamino)-2-oxo-1-[(phenylacetyl)amino]ethyl}-N-[(1R)-1-benzyl-2-hydroxyethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide |
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 | | I32 | | Name: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile | | Formula: | C16 H20 I N3 O2 | | SMILES: | Ic2c1c(cccc1OCC(O)CNC(C)(C)C)nc2C#N | | InChi: | InChI=1S/C16H20IN3O2/c1-16(2,3)19-8-10(21)9-22-13-6-4-5-11-14(13)15(17)12(7-18)20-11/h4-6,10,19-21H,8-9H2,1-3H3/t10-/m0/s1 | | Synonyms: | IODOCYANOPINDOLOL | | Definition date: | 2011-03-17 | | Last modified: | 2020-06-17 | | Identifier: | 4-{[(2S)-3-(tert-butylamino)-2-hydroxypropyl]oxy}-3-iodo-1H-indole-2-carbonitrile |
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 | | I59 | | Name: | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | | Formula: | C11 H11 O4 P | | SMILES: | O=P(O)(O)C(O)c2cccc1ccccc12 | | InChi: | InChI=1S/C11H11O4P/c12-11(16(13,14)15)10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11-12H,(H2,13,14,15)/t11-/m0/s1 | | Synonyms: | DPI59 | | Definition date: | 2003-06-20 | | Last modified: | 2020-06-17 | | Identifier: | [(S)-hydroxy(naphthalen-1-yl)methyl]phosphonic acid |
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 | | I7P | | Name: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate | | Formula: | C6 H19 O27 P7 | | SMILES: | O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O | | InChi: | InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+ | | Synonyms: | 1D-myo-inositol 5-diphosphate 1,2,3,4,6-pentakisphosphate | | Definition date: | 2011-08-08 | | Last modified: | 2020-06-17 | | Identifier: | (1r,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
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 | | I8P | | Name: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] | | Formula: | C6 H20 O30 P8 | | SMILES: | O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(OP(=O)(O)O)O | | InChi: | InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)5(33-43(25,26)35-41(19,20)21)4(32-40(16,17)18)6(3(1)31-39(13,14)15)34-44(27,28)36-42(22,23)24/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4-,5+,6-/m1/s1 | | Synonyms: | 1D-myo-inositol 1,5-bisdiphosphate 2,3,4,6-tetrakisphosphate | | Definition date: | 2011-08-08 | | Last modified: | 2020-06-17 | | Identifier: | (1R,3S,4R,5S,6R)-2,4,5,6-tetrakis(phosphonooxy)cyclohexane-1,3-diyl bis[trihydrogen (diphosphate)] |
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 | | IBA | | Name: | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | | Formula: | C18 H27 N3 O4 | | SMILES: | O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CN)CO)NC(CC)CC | | InChi: | InChI=1S/C18H27N3O4/c1-3-13(4-2)20-14-9-12(17(24)25)5-6-15(14)21-16(23)7-8-18(21,10-19)11-22/h5-6,9,13,20,22H,3-4,7-8,10-11,19H2,1-2H3,(H,24,25)/t18-/m1/s1 | | Synonyms: | 1-(4-CARBOXY-2-(3-PENTYLAMINO)PHENYL)-5-AMINOMETHYL-5-HYDROXYMETHYL-PYRROLIDIN-2-ONE | | Definition date: | 2003-07-31 | | Last modified: | 2020-06-17 | | Identifier: | 4-[(2R)-2-(aminomethyl)-2-(hydroxymethyl)-5-oxopyrrolidin-1-yl]-3-[(1-ethylpropyl)amino]benzoic acid |
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 | | IBC | | Name: | 3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]ISOXAZOL-4-YL)-L-ALANINE | | Formula: | C11 H14 N2 O4 | | SMILES: | O=C(O)C(N)CC2=CCCCc1onc(O)c12 | | InChi: | InChI=1S/C11H14N2O4/c12-7(11(15)16)5-6-3-1-2-4-8-9(6)10(14)13-17-8/h3,7H,1-2,4-5,12H2,(H,13,14)(H,15,16)/t7-/m0/s1 | | Synonyms: | 2-AMINO-3-(3-HYDROXY-7,8-DIHYDRO-6H-CYCLOHEPTA[D]-4-ISOXAZOLYL)PROPIONIC ACID | | Definition date: | 2004-12-16 | | Last modified: | 2020-06-17 | | Identifier: | 3-(3-hydroxy-7,8-dihydro-6H-cyclohepta[d]isoxazol-4-yl)-L-alanine |
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 | | IBN | | Name: | 2-METHYLPROPAN-1-AMINE | | Formula: | C4 H11 N | | SMILES: | NCC(C)C | | InChi: | InChI=1S/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3 | | Synonyms: | ISOBUTYRONITRILE | | Definition date: | 2007-06-26 | | Last modified: | 2020-06-17 | | Identifier: | 2-methylpropan-1-amine |
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 | | IBP | | Name: | IBUPROFEN | | Formula: | C13 H18 O2 | | SMILES: | O=C(O)C(c1ccc(cc1)CC(C)C)C | | InChi: | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1 | | Synonyms: | 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID | | Definition date: | 2000-04-10 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-[4-(2-methylpropyl)phenyl]propanoic acid |
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 | | IC1 | | Name: | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]-INDOLIN-2-ONE | | Formula: | C18 H17 N O4 | | SMILES: | O=C2C(c1ccccc1N2)=Cc3c(OC)cc(OC)cc3OC | | InChi: | InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+ | | Synonyms: | IC261 | | Definition date: | 2000-02-25 | | Last modified: | 2020-06-17 | | Identifier: | (3E)-3-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-dihydro-2H-indol-2-one |
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 | | ICD | | Name: | 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide | | Formula: | C14 H13 N3 O5 S | | SMILES: | O=C(C2=C(O)c1c(cccc1)S(=O)(=O)N2C)Nc3noc(c3)C | | InChi: | InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19) | | Synonyms: | Isoxicam | | Definition date: | 2013-08-09 | | Last modified: | 2020-06-17 | | Release date: | 2014-01-22 | | Identifier: | 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide |
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 | | ICF | | Name: | 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER | | Formula: | C3 H2 Cl F5 O | | SMILES: | (2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane | | InChi: | InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1 | | Synonyms: | ISOFLURANE | | Definition date: | 2004-11-19 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1-chloro-2,2,2-trifluoroethyl difluoromethyl ether |
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 | | ICJ | | Name: | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S,4R)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-yli
dene}ethylidene]-4-methylidenecyclohexane-1,3-diol | | Formula: | C31 H52 O3 | | SMILES: | OC3C(=C)C(=C/C=C1CCCC2(C)C(C(C)C(CCCC)CC(O)C(C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C31H52O3/c1-7-8-10-24(18-29(33)20(2)3)21(4)27-14-15-28-23(11-9-16-31(27,28)6)12-13-25-17-26(32)19-30(34)22(25)5/h12-13,20-21,24,26-30,32-34H,5,7-11,14-19H2,1-4,6H3/b23-12+,25-13-/t21-,24+,26-,27-,28+,29-,30+,31-/m1/s1 | | Synonyms: | 22S-butyl-1a,24R-dihydroxyvitamin D3 | | Definition date: | 2010-03-17 | | Last modified: | 2020-06-17 | | Identifier: | (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(2R,3S,5R)-3-butyl-5-hydroxy-6-methylheptan-2-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol (non-preferred name) |
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 | | ID5 | | Name: | [5-FLUORO-2-({[(4,5,7-TRIFLUORO-1,3-BENZOTHIAZOL-2-YL)METHYL]AMINO}CARBONYL)PHENOXY]ACETIC ACID | | Formula: | C17 H10 F4 N2 O4 S | | SMILES: | Fc1ccc(c(OCC(=O)O)c1)C(=O)NCc2nc3c(F)c(F)cc(F)c3s2 | | InChi: | InChI=1S/C17H10F4N2O4S/c18-7-1-2-8(11(3-7)27-6-13(24)25)17(26)22-5-12-23-15-14(21)9(19)4-10(20)16(15)28-12/h1-4H,5-6H2,(H,22,26)(H,24,25) | | Synonyms: | IDD552 | | Definition date: | 2004-05-07 | | Last modified: | 2020-06-17 | | Identifier: | (5-fluoro-2-{[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]carbamoyl}phenoxy)acetic acid |
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 | | ID8 | | Name: | 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID | | Formula: | C15 H15 N O2 | | SMILES: | O=C(O)c2c(Nc1cccc(c1C)C)cccc2 | | InChi: | InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) | | Synonyms: | MEFENAMIC ACID | | Definition date: | 2010-07-30 | | Last modified: | 2020-06-17 | | Identifier: | 2-[(2,3-dimethylphenyl)amino]benzoic acid |
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 | | 5OP | | Name: | (5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID | | Formula: | C20 H30 O5 | | SMILES: | O=C(O)CCC/C=C/CC1C(=O)CC(O)C1C=CC(=O)CCCCC | | InChi: | InChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+ | | Synonyms: | 15-OXO-PGE2 | | Definition date: | 2003-11-11 | | Last modified: | 2020-06-17 | | Identifier: | (8beta,13E)-11-hydroxy-9,15-dioxoprosta-5,13-dien-1-oic acid |
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 | | IDB | | Name: | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID | | Formula: | C20 H14 I6 N2 O6 | | SMILES: | O=C(Nc1c(I)c(c(I)cc1I)C(=O)O)CCCCC(=O)Nc2c(I)c(C(=O)O)c(I)cc2I | | InChi: | InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34) | | Synonyms: | 3,3'-[(1,6-DIOXOHEXANE-1,6-DIYL)DIIMINO]BIS(2,4,6-TRIIODOBENZOIC ACID) | | Definition date: | 2005-07-26 | | Last modified: | 2020-06-17 | | Identifier: | 3,3'-[(1,6-dioxohexane-1,6-diyl)diimino]bis(2,4,6-triiodobenzoic acid) |
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 | | 5OY | | Name: | 5-phosphono-L-norvaline | | Formula: | C5 H12 N O5 P | | SMILES: | N[CH](CCC[P](O)(O)=O)C(O)=O | | InChi: | InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)/t4-/m0/s1 | | Synonyms: | (2~{S})-2-azanyl-5-phosphono-pentanoic acid | | Definition date: | 2015-11-02 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-09 | | Identifier: | (2~{S})-2-azanyl-5-phosphono-pentanoic acid |
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 | | IDJ | | Name: | (2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid | | Formula: | C6 H11 N O5 | | SMILES: | O=C(O)C1NCC(O)C(O)C1O | | InChi: | InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3+,4+,5+/m0/s1 | | Synonyms: | [2R,3R,4R,5S]-2-carboxy-3,4,5-trihydroxy-piperidine | | Definition date: | 2013-05-07 | | Last modified: | 2020-06-17 | | Release date: | 2013-09-18 | | Identifier: | (2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid |
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