 | | OT5 | | Name: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone | | Formula: | C25 H28 Cl2 N4 O2 | | SMILES: | Clc4cc(c1nc2c(c(cnc2cc1)C(=O)C)NC3CCC(CN(C)C)CC3)cc(Cl)c4O | | InChi: | InChI=1S/C25H28Cl2N4O2/c1-14(32)18-12-28-22-9-8-21(16-10-19(26)25(33)20(27)11-16)30-24(22)23(18)29-17-6-4-15(5-7-17)13-31(2)3/h8-12,15,17,33H,4-7,13H2,1-3H3,(H,28,29)/t15-,17- | | Synonyms: | OTSSP167 | | Definition date: | 2014-02-17 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-08 | | Identifier: | 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone |
|
 | | FFO | | Name: | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid | | Formula: | C20 H23 N7 O7 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)N)CCC(=O)O | | InChi: | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1 | | Synonyms: | [6S]-5-FORMYL-TETRAHYDROFOLATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid |
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 | | OTD | | Name: | 2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID | | Formula: | C6 H6 N2 O5 | | SMILES: | O=C(O)C1C=C(C(=O)O)NC(=O)N1 | | InChi: | InChI=1S/C6H6N2O5/c9-4(10)2-1-3(5(11)12)8-6(13)7-2/h1-2H,(H,9,10)(H,11,12)(H2,7,8,13)/t2-/m1/s1 | | Synonyms: | HDDP | | Definition date: | 2007-03-01 | | Last modified: | 2020-06-17 | | Identifier: | (4R)-2-oxo-1,2,3,4-tetrahydropyrimidine-4,6-dicarboxylic acid |
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 | | FGG | | Name: | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate | | Formula: | C20 H35 F O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(OCC(F)=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O | | InChi: | InChI=1S/C20H35FO7P2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(21)15-27-30(25,26)28-29(22,23)24/h9,11,13H,6-8,10,12,14-15H2,1-5H3,(H,25,26)(H2,22,23,24)/b17-11+,18-13+,20-19- | | Synonyms: | 2-fluoro-geranylgeranyl diphosphate | | Definition date: | 2010-10-22 | | Last modified: | 2020-06-17 | | Identifier: | (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate |
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 | | FHI | | Name: | 2',4'-DIFLUORO-4-HYDROXY-5-IODO-1,1'-BIPHENYL-3-CARBOXYLIC ACID | | Formula: | C13 H7 F2 I O3 | | SMILES: | Ic2cc(c1ccc(F)cc1F)cc(C(=O)O)c2O | | InChi: | InChI=1S/C13H7F2IO3/c14-7-1-2-8(10(15)5-7)6-3-9(13(18)19)12(17)11(16)4-6/h1-5,17H,(H,18,19) | | Synonyms: | IODODIFLUNISAL | | Definition date: | 2004-12-09 | | Last modified: | 2020-06-17 | | Identifier: | 2',4'-difluoro-4-hydroxy-5-iodobiphenyl-3-carboxylic acid |
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 | | FHP | | Name: | 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID | | Formula: | C15 H27 O4 P | | SMILES: | O=P(O)(O)C(O)/C=C(/CCC=C(/C)CCC=C(/C)C)C | | InChi: | InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,11,15-16H,5-6,8,10H2,1-4H3,(H2,17,18,19)/b13-9+,14-11+/t15-/m1/s1 | | Synonyms: | FARNESYL HYDROXYPHOSPHONATE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | [(1R,2E,6E)-1-hydroxy-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]phosphonic acid |
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 | | FID | | Name: | (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE | | Formula: | C12 H10 F N3 O4 | | SMILES: | Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3 | | InChi: | InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1 | | Synonyms: | FIDARESTAT | | Definition date: | 2000-02-14 | | Last modified: | 2020-06-17 | | Identifier: | (2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[chromene-4,4'-imidazolidine]-2-carboxamide |
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 | | FIL | | Name: | (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME | | Formula: | C15 H20 N2 O4 | | SMILES: | COc1ccc(cc1OC2CCCC2)C(C)=NOC(N)=O | | InChi: | InChI=1S/C15H20N2O4/c1-10(17-21-15(16)18)11-7-8-13(19-2)14(9-11)20-12-5-3-4-6-12/h7-9,12H,3-6H2,1-2H3,(H2,16,18)/b17-10+ | | Synonyms: | FILAMINAST | | Definition date: | 2004-11-17 | | Last modified: | 2020-06-17 | | Identifier: | [1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino] carbamate |
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 | | FIV | | Name: | naphthalene-2-carboxylic acid | | Formula: | C11 H8 O2 | | SMILES: | O=C(O)c2ccc1c(cccc1)c2 | | InChi: | InChI=1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13) | | Synonyms: | 2-naphthoic acid | | Definition date: | 2012-04-10 | | Last modified: | 2020-06-17 | | Release date: | 2013-02-15 | | Identifier: | naphthalene-2-carboxylic acid |
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 | | FJA | | Name: | Fusicoccin J aglycone | | Formula: | C21 H34 O4 | | SMILES: | O(C)CC3C2=CC1(C(=C(C(C)C)CC1O)C(O)C(O)C(C2CC3)C)C | | InChi: | InChI=1S/C21H34O4/c1-11(2)15-8-17(22)21(4)9-16-13(10-25-5)6-7-14(16)12(3)19(23)20(24)18(15)21/h9,11-14,17,19-20,22-24H,6-8,10H2,1-5H3/b16-9-/t12-,13-,14+,17+,19-,20-,21+/m1/s1 | | Synonyms: | (1S,4R,5R,6R,6aS,9S,9aE,10aR)-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclop
enta[a,d][8]annulene-1,4,5-triol | | Definition date: | 2011-07-06 | | Last modified: | 2020-06-17 | | Identifier: | (1S,4R,5R,6R,6aS,9S,9aE,10aR)-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulene-1,4,5-triol |
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 | | HZH | | Name: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one | | Formula: | C11 H11 F3 O S | | SMILES: | FC(F)(F)C(=O)CSCCc1ccccc1 | | InChi: | InChI=1S/C11H11F3OS/c12-11(13,14)10(15)8-16-7-6-9-4-2-1-3-5-9/h1-5H,6-8H2 | | Synonyms: | 3-phenethylthio-1,1,1-trifluoropropan-2-one, PETFP | | Definition date: | 2008-06-11 | | Last modified: | 2020-06-17 | | Identifier: | 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one |
|
 | | I03 | | Name: | (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL
3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE | | Formula: | C28 H32 F N3 O6 S | | SMILES: | O=S(=O)(N(c1cc(cc(c1)C(=O)OCC(N)(Cc2ccccc2)CO)C(=O)NC(c3ccc(F)cc3)C)C)C | | InChi: | InChI=1S/C28H32FN3O6S/c1-19(21-9-11-24(29)12-10-21)31-26(34)22-13-23(15-25(14-22)32(2)39(3,36)37)27(35)38-18-28(30,17-33)16-20-7-5-4-6-8-20/h4-15,19,33H,16-18,30H2,1-3H3,(H,31,34)/t19-,28+/m1/s1 | | Synonyms: | N-[1-BENZYL-2-HYDROXY-1-(HYDROXYMETHYL)ETHYL]-N'-{[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[N-METHYL-N-(METHYLSULFONYL)AMINO]}I
SOPHTHALIMIDE | | Definition date: | 2006-10-25 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-amino-2-benzyl-3-hydroxypropyl 3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoate |
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 | | I1P | | Name: | 2-[4-(N-(3-DIMETHYLAMINOPROPYL)SULPHAMOYL)ANILINO]- | | Formula: | C21 H24 N8 O2 S | | SMILES: | O=S(=O)(NCCCN(C)C)c1ccc(cc1)Nc2nccc(n2)c3cnc4cccnn34 | | InChi: | InChI=1S/C21H24N8O2S/c1-28(2)14-4-12-25-32(30,31)17-8-6-16(7-9-17)26-21-22-13-10-18(27-21)19-15-23-20-5-3-11-24-29(19)20/h3,5-11,13,15,25H,4,12,14H2,1-2H3,(H,22,26,27) | | Synonyms: | N-[3-(DIMETHYLAMINO)PROPYL]-4-[(4-IMIDAZO[1,2-B]PYRIDAZIN-3-YL-2-PYRIMIDINYL)AMINO]BENZENESULFONAMIDE | | Definition date: | 2003-11-11 | | Last modified: | 2020-06-17 | | Identifier: | N-[3-(dimethylamino)propyl]-4-[(4-imidazo[1,2-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzenesulfonamide |
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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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