 | | 3C0 | | Name: | N-methyl scopolamine | | Formula: | C18 H24 N O4 | | SMILES: | O=C(OC1CC2[N+](C(C1)C3OC23)(C)C)C(c4ccccc4)CO | | InChi: | InChI=1S/C18H24NO4/c1-19(2)14-8-12(9-15(19)17-16(14)23-17)22-18(21)13(10-20)11-6-4-3-5-7-11/h3-7,12-17,20H,8-10H2,1-2H3/q+1/t12-,13-,14-,15+,16-,17+/m1/s1 | | Synonyms: | (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane | | Definition date: | 2014-07-23 | | Last modified: | 2020-06-17 | | Release date: | 2014-11-26 | | Identifier: | (1R,2R,4S,5S,7s)-7-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane |
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 | | KOS | | Name: | 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN | | Formula: | C32 H48 N4 O8 | | SMILES: | O=C1C(NCCN(C)C)=C2C(=O)C(=C1)NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C | | InChi: | InChI=1S/C32H48N4O8/c1-18-14-22-27(34-12-13-36(5)6)24(37)17-23(29(22)39)35-31(40)19(2)10-9-11-25(42-7)30(44-32(33)41)21(4)16-20(3)28(38)26(15-18)43-8/h9-11,16-18,20,25-26,28,30,34,38H,12-15H2,1-8H3,(H2,33,41)(H,35,40)/b11-9-,19-10+,21-16+/t18-,20+,25+,26+,28-,30+/m1/s1 | | Synonyms: | 17-DMAG | | Definition date: | 2003-03-20 | | Last modified: | 2020-06-17 | | Identifier: | (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate |
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 | | KPL | | Name: | KETOPANTOATE | | Formula: | C6 H10 O4 | | SMILES: | O=C(O)C(=O)C(C)(C)CO | | InChi: | InChI=1S/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10) | | Synonyms: | 2-DEHYDROPANTOATE | | Definition date: | 2002-07-15 | | Last modified: | 2020-06-17 | | Identifier: | 4-hydroxy-3,3-dimethyl-2-oxobutanoic acid |
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 | | KPV | | Name: | 5-PHENYL-2-KETO-VALERIC ACID | | Formula: | C11 H12 O3 | | SMILES: | O=C(O)C(=O)CCCc1ccccc1 | | InChi: | InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14) | | Synonyms: | 2-OXO-5-PHENYLPENTANOIC ACID | | Definition date: | 2007-06-19 | | Last modified: | 2020-06-17 | | Identifier: | 2-oxo-5-phenylpentanoic acid |
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 | | 3DG | | Name: | 9-(3-DEOXY-BETA-D-RIBOFURANOSYL)GUANINE | | Formula: | C10 H13 N5 O4 | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(CC3O)CO | | InChi: | InChI=1S/C10H13N5O4/c11-10-13-7-6(8(18)14-10)12-3-15(7)9-5(17)1-4(2-16)19-9/h3-5,9,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,9+/m0/s1 | | Synonyms: | 3-DEOXYGUANOSINE | | Definition date: | 2003-11-10 | | Last modified: | 2020-06-17 | | Identifier: | 3'-deoxyguanosine |
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 | | 3DH | | Name: | 5'-S-ethyl-5'-thioadenosine | | Formula: | C12 H17 N5 O3 S | | SMILES: | n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CSCC)N | | InChi: | InChI=1S/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,8-,9-,12-/m1/s1 | | Synonyms: | S-adenosylethane | | Definition date: | 2008-06-20 | | Last modified: | 2020-06-17 | | Identifier: | 5'-S-ethyl-5'-thioadenosine |
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 | | KQ7 | | Name: | N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py
ridine-3-carboxamide | | Formula: | C30 H37 N7 O3 | | SMILES: | CN1CCC[CH]1CCNc2ccc(cn2)C(=O)Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3C | | InChi: | InChI=1S/C30H37N7O3/c1-21-5-7-24(34-29(38)22-9-11-32-28(18-22)37-14-16-40-17-15-37)19-26(21)35-30(39)23-6-8-27(33-20-23)31-12-10-25-4-3-13-36(25)2/h5-9,11,18-20,25H,3-4,10,12-17H2,1-2H3,(H,31,33)(H,34,38)(H,35,39)/t25-/m0/s1 | | Synonyms: | N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxa
mide | | Definition date: | 2009-11-18 | | Last modified: | 2020-06-17 | | Identifier: | N-[4-methyl-3-[[6-[2-[(1R,2S)-1-methylpyrrolidin-2-yl]ethylamino]pyridin-3-yl]carbonylamino]phenyl]-2-morpholin-4-yl-pyridine-4-carboxamide |
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 | | KQD | | Name: | (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami
de} | | Formula: | C56 H56 N6 O6 | | SMILES: | C(=O)(c1ccc(cc1)C(N6CC(C(=O)NC2CC2c3ccccc3)C(C(=O)NC4CC4c5ccccc5)C6)=O)N9CC(C(=O)NC7CC7c8ccccc8)C(C9)C(=O)NC%10CC%10c%11ccccc%11 | | InChi: | InChI=1S/C56H56N6O6/c63-51(57-47-25-39(47)33-13-5-1-6-14-33)43-29-61(30-44(43)52(64)58-48-26-40(48)34-15-7-2-8-16-34)55(67)37-21-23-38(24-22-37)56(68)62-31-45(53(65)59-49-27-41(49)35-17-9-3-10-18-35)46(32-62)54(66)60-50-28-42(50)36-19-11-4-12-20-36/h1-24,39-50H,25-32H2,(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t39-,40-,41-,42-,43-,44-,45-,46-,47+,48+,49+,50+/m1/s1 | | Synonyms: | Diprovocim | | Definition date: | 2019-01-03 | | Last modified: | 2020-06-17 | | Release date: | 2019-04-17 | | Identifier: | (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxamide} |
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 | | 3DU | | Name: | 4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one | | Formula: | C10 H14 N O9 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)C=C(O)C=C1)C(O)C2O | | InChi: | InChI=1S/C10H14NO9P/c12-5-1-2-11(7(13)3-5)10-9(15)8(14)6(20-10)4-19-21(16,17)18/h1-3,6,8-10,12,14-15H,4H2,(H2,16,17,18)/t6-,8-,9-,10-/m1/s1 | | Synonyms: | 3-deazauridine 5'-monophosphate | | Definition date: | 2013-12-05 | | Last modified: | 2020-06-17 | | Release date: | 2013-12-18 | | Identifier: | 4-hydroxy-1-(5-O-phosphono-beta-D-ribofuranosyl)pyridin-2(1H)-one |
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 | | KR2 | | Name: | (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE | | Formula: | C22 H24 F3 N3 O2 | | SMILES: | O=C(N2N(C(=O)c1ccccc1)CCCCC2)CC(N)Cc3cc(F)c(F)cc3F | | InChi: | InChI=1S/C22H24F3N3O2/c23-18-14-20(25)19(24)12-16(18)11-17(26)13-21(29)27-9-5-2-6-10-28(27)22(30)15-7-3-1-4-8-15/h1,3-4,7-8,12,14,17H,2,5-6,9-11,13,26H2/t17-/m1/s1 | | Synonyms: | (R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE | | Definition date: | 2007-01-24 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-4-oxo-4-[2-(phenylcarbonyl)-1,2-diazepan-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine |
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 | | 3EV | | Name: | (1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol | | Formula: | C27 H44 O3 | | SMILES: | OC3C(=C)C(=C/C=C1CCCC2(C)C(C(C)CCCC(O)(C)C)CCC12)CC(O)C3 | | InChi: | InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22+,23-,24+,25+,27-/m1/s1 | | Synonyms: | 1alpha,25-dihydroxy-3-epi-vitamin D3 | | Definition date: | 2009-09-30 | | Last modified: | 2020-06-17 | | Identifier: | (1S,3S,5Z,7E,14beta,17alpha)-9,10-secocholesta-5,7,10-triene-1,3,25-triol |
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 | | KRS | | Name: | cladosporin | | Formula: | C16 H20 O5 | | SMILES: | O=C3OC(CC1OC(CCC1)C)Cc2cc(O)cc(O)c23 | | InChi: | InChI=1S/C16H20O5/c1-9-3-2-4-12(20-9)8-13-6-10-5-11(17)7-14(18)15(10)16(19)21-13/h5,7,9,12-13,17-18H,2-4,6,8H2,1H3/t9-,12+,13+/m0/s1 | | Synonyms: | (3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one | | Definition date: | 2014-02-08 | | Last modified: | 2020-06-17 | | Release date: | 2014-07-16 | | Identifier: | (3R)-6,8-dihydroxy-3-{[(2R,6S)-6-methyltetrahydro-2H-pyran-2-yl]methyl}-3,4-dihydro-1H-isochromen-1-one |
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 | | 3F1 | | Name: | N-{[4-(benzyloxy)phenyl](methyl)-lambda~4~-sulfanylidene}-4-methylbenzenesulfonamide | | Formula: | C21 H21 N O3 S2 | | SMILES: | Cc1ccc(cc1)[S](=O)(=O)N=[S](C)c2ccc(OCc3ccccc3)cc2 | | InChi: | InChI=1S/C21H21NO3S2/c1-17-8-14-21(15-9-17)27(23,24)22-26(2)20-12-10-19(11-13-20)25-16-18-6-4-3-5-7-18/h3-15H,16H2,1-2H3/t26-/m1/s1 | | Synonyms: | N-{[4-(benzyloxy)phenyl](methyl)-lambda}-4-methylbenzenesulfonamide | | Definition date: | 2010-01-18 | | Last modified: | 2020-06-17 | | Identifier: | 4-methyl-N-[(R)-methyl-(4-phenylmethoxyphenyl)-$l^{4}-sulfanylidene]benzenesulfonamide |
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 | | KSG | | Name: | (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL
2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE | | Formula: | C14 H25 N3 O9 | | SMILES: | O=C(O)C(=[N@H])NC2C(OC(OC1C(O)C(O)C(O)C(O)C1O)C(N)C2)C | | InChi: | InChI=1S/C14H25N3O9/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24)/t3-,4+,5+,6-,7+,8+,9-,10+,11+,14-/m1/s1 | | Synonyms: | KASUGAMYCIN | | Definition date: | 2006-08-02 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-{[(Z)-carboxy(imino)methyl]amino}-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranoside |
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 | | 3FP | | Name: | (2R)-1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | | Formula: | C22 H23 F4 N5 O2 | | SMILES: | FC(F)(F)c1cc(c(F)cc1)Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3 | | InChi: | InChI=1S/C22H23F4N5O2/c1-31(2)11-16(32)12-33-17-6-4-15(5-7-17)29-20-10-21(28-13-27-20)30-19-9-14(22(24,25)26)3-8-18(19)23/h3-10,13,16,32H,11-12H2,1-2H3,(H2,27,28,29,30)/t16-/m1/s1 | | Synonyms: | 1-(DIMETHYLAMINO)-3-{4-[(6-{[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}PYRIMIDIN-4-YL)AMINO]PHENOXY}PROPAN-2-OL | | Definition date: | 2002-06-11 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-1-(dimethylamino)-3-{4-[(6-{[2-fluoro-5-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenoxy}propan-2-ol |
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 | | 3FR | | Name: | 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide | | Formula: | C28 H24 Cl N5 O | | SMILES: | O=C(N)c1ccccc1c2cc(cc(Cl)c2)n5nc(c3c5cc(nc3)NC(c4ccccc4)C)C | | InChi: | InChI=1S/C28H24ClN5O/c1-17(19-8-4-3-5-9-19)32-27-15-26-25(16-31-27)18(2)33-34(26)22-13-20(12-21(29)14-22)23-10-6-7-11-24(23)28(30)35/h3-17H,1-2H3,(H2,30,35)(H,31,32)/t17-/m0/s1 | | Synonyms: | 3'-chloro-5'-[3-methyl-6-(1-phenyl-ethylamino)-pyrazolo[4,3-c]pyridin-1-yl]-biphenyl-2-carboxylic acid amide | | Definition date: | 2008-06-16 | | Last modified: | 2020-06-17 | | Identifier: | 3'-chloro-5'-(3-methyl-6-{[(1S)-1-phenylethyl]amino}-1H-pyrazolo[4,3-c]pyridin-1-yl)biphenyl-2-carboxamide |
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 | | 3G0 | | Name: | tetracyanoplatinate(II) | | Formula: | C4 N4 Pt | | SMILES: | N#C[Pt-2](C#N)(C#N)C#N | | InChi: | InChI=1S/4CN.Pt/c4*1-2 | | Synonyms: | [Pt(CN)4]2- | | Definition date: | 2014-08-12 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-10 | | Identifier: | tetrakis(cyano-kappaC)platinate(2-) |
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 | | 3GO | | Name: | 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri
le | | Formula: | C28 H26 N8 O4 | | SMILES: | N#Cc1ccc(cc1)COCC6OC(n3c(nc2c(ncnc23)N)NCc5cc4cccnc4cc5)C(O)C6O | | InChi: | InChI=1S/C28H26N8O4/c29-11-16-3-5-17(6-4-16)13-39-14-21-23(37)24(38)27(40-21)36-26-22(25(30)33-15-34-26)35-28(36)32-12-18-7-8-20-19(10-18)2-1-9-31-20/h1-10,15,21,23-24,27,37-38H,12-14H2,(H,32,35)(H2,30,33,34)/t21-,23-,24-,27-/m1/s1 | | Synonyms: | 5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine | | Definition date: | 2009-01-28 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(4-cyanobenzyl)-8-[(quinolin-6-ylmethyl)amino]adenosine |
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 | | KTP | | Name: | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID | | Formula: | C22 H17 O4 P | | SMILES: | O=C(c2cc1ccccc1cc2)C(c4cccc3ccccc34)P(=O)(O)O | | InChi: | InChI=1S/C22H17O4P/c23-21(18-13-12-15-6-1-2-8-17(15)14-18)22(27(24,25)26)20-11-5-9-16-7-3-4-10-19(16)20/h1-14,22H,(H2,24,25,26)/t22-/m1/s1 | | Synonyms: | BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID | | Definition date: | 2002-02-14 | | Last modified: | 2020-06-17 | | Identifier: | [(1R)-1-naphthalen-1-yl-2-naphthalen-2-yl-2-oxoethyl]phosphonic acid |
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 | | 3GY | | Name: | (2R)-butan-2-ylbenzene | | Formula: | C10 H14 | | SMILES: | c1ccccc1C(CC)C | | InChi: | InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3/t9-/m1/s1 | | Synonyms: | sec-Butylbenzene | | Definition date: | 2014-08-18 | | Last modified: | 2020-06-17 | | Release date: | 2015-04-01 | | Identifier: | (2R)-butan-2-ylbenzene |
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 | | KTR | | Name: | (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid | | Formula: | C15 H13 N O3 | | SMILES: | O=C(O)C3c2ccc(C(=O)c1ccccc1)n2CC3 | | InChi: | InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)/t11-/m1/s1 | | Synonyms: | Ketorolac | | Definition date: | 2012-08-30 | | Last modified: | 2020-06-17 | | Release date: | 2012-09-14 | | Identifier: | (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid |
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 | | 3H4 | | Name: | (1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methy
l-L-valyl)amino]octa-1,6-dien-4-yl carbamate | | Formula: | C31 H45 N3 O7 | | SMILES: | O=C(OC(CC=C/C)C/C=CNC(=O)C(NC(=O)C=C/C=CC(=CC(C)C1OC(=O)C(OC)=CC1)C)C(C)(C)C)N | | InChi: | InChI=1S/C31H45N3O7/c1-8-9-14-23(40-30(32)38)15-12-19-33-28(36)27(31(4,5)6)34-26(35)16-11-10-13-21(2)20-22(3)24-17-18-25(39-7)29(37)41-24/h8-13,16,18-20,22-24,27H,14-15,17H2,1-7H3,(H2,32,38)(H,33,36)(H,34,35)/b9-8-,13-10-,16-11-,19-12-,21-20+/t22-,23-,24-,27+/m0/s1 | | Synonyms: | PM060184 | | Definition date: | 2014-08-19 | | Last modified: | 2020-06-17 | | Release date: | 2014-09-03 | | Identifier: | (1Z,4S,6Z)-1-[(N-{(2Z,4Z,6E,8S)-8-[(2S)-5-methoxy-6-oxo-3,6-dihydro-2H-pyran-2-yl]-6-methylnona-2,4,6-trienoyl}-3-methyl-L-valyl)amino]octa-1,6-dien-4-yl carbamate |
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 | | KU2 | | Name: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4
-carboxamide | | Formula: | C25 H25 Cl N4 O5 S | | SMILES: | C(CSc1c(cccc1)Cl)(N4C(C=3NC(C(=C(C(=O)NCCOc2ccccc2)N=3)O)=O)CCC4)=O | | InChi: | InChI=1S/C25H25ClN4O5S/c26-17-9-4-5-11-19(17)36-15-20(31)30-13-6-10-18(30)23-28-21(22(32)25(34)29-23)24(33)27-12-14-35-16-7-2-1-3-8-16/h1-5,7-9,11,18,32H,6,10,12-15H2,(H,27,33)(H,28,29,34)/t18-/m0/s1 | | Synonyms: | SRI-30023 | | Definition date: | 2017-06-27 | | Last modified: | 2020-06-17 | | Release date: | 2017-12-27 | | Identifier: | 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide |
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 | | KU3 | | Name: | (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone | | Formula: | C19 H17 F N2 O3 | | SMILES: | CC(C)c3cc(C(N1Cc2c(C1)ccc(c2)F)=O)c(O)c4c3onc4 | | InChi: | InChI=1S/C19H17FN2O3/c1-10(2)14-6-15(17(23)16-7-21-25-18(14)16)19(24)22-8-11-3-4-13(20)5-12(11)9-22/h3-7,10,23H,8-9H2,1-2H3 | | Synonyms: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone | | Definition date: | 2017-01-10 | | Last modified: | 2020-06-17 | | Release date: | 2018-01-10 | | Identifier: | (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone |
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 | | 3HA | | Name: | 3-HYDROXYANTHRANILIC ACID | | Formula: | C7 H7 N O3 | | SMILES: | O=C(O)c1cccc(O)c1N | | InChi: | InChI=1S/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11) | | Synonyms: | 2-AMINO-3-HYDROXYBENZOIC ACID | | Definition date: | 2004-08-16 | | Last modified: | 2020-06-17 | | Identifier: | 2-amino-3-hydroxybenzoic acid |
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