 | | SDL | | Name: | 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{H}-purine-6,8-dione | | Formula: | C13 H17 N5 O6 | | SMILES: | NC1=NC2=C(N(CC=C)C(=O)N2[CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)N1 | | InChi: | InChI=1S/C13H17N5O6/c1-2-3-17-6-9(15-12(14)16-10(6)22)18(13(17)23)11-8(21)7(20)5(4-19)24-11/h2,5,7-8,11,19-21H,1,3-4H2,(H3,14,15,16,22)/t5-,7-,8-,11-/m1/s1 | | Synonyms: | Loxoribine | | Definition date: | 2016-07-26 | | Last modified: | 2021-03-01 | | Release date: | 2016-11-02 | | Identifier: | 2-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-7-prop-2-enyl-1~{H}-purine-6,8-dione |
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 | | QDN | | Name: | Quinidine | | Formula: | C20 H24 N2 O2 | | SMILES: | O(c4cc1c(nccc1C(O)C2N3CCC(C2)C(/C=C)C3)cc4)C | | InChi: | InChI=1S/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1 | | Synonyms: | (9S)-6'-methoxycinchonan-9-ol | | Definition date: | 2014-10-15 | | Last modified: | 2021-03-01 | | Release date: | 2015-01-14 | | Identifier: | (9S)-6'-methoxycinchonan-9-ol |
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 | | QDO | | Name: | 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide | | Formula: | C10 H8 Br2 N2 O2 | | SMILES: | [O-][n+]2c1ccccc1[n+]([O-])c(c2CBr)CBr | | InChi: | InChI=1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2 | | Synonyms: | conoidin A | | Definition date: | 2013-05-31 | | Last modified: | 2021-03-01 | | Release date: | 2013-07-31 | | Identifier: | 2,3-bis(bromomethyl)quinoxaline 1,4-dioxide |
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 | | LGN | | Name: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide | | Formula: | C62 H117 N O18 | | SMILES: | O=C(NC(COC3OC(C(OC2OC(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C2O)C(O)C3O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C62H117NO18/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-50(68)63-45(46(67)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)44-76-60-56(74)54(72)58(49(43-66)79-60)80-62-57(75)59(52(70)48(42-65)78-62)81-61-55(73)53(71)51(69)47(41-64)77-61/h37,39,45-49,51-62,64-67,69-75H,3-36,38,40-44H2,1-2H3,(H,63,68)/b39-37+/t45-,46+,47+,48+,49+,51-,52-,53-,54+,55+,56+,57+,58+,59-,60+,61+,62-/m0/s1 | | Synonyms: | Isoglobotrihexosylceramide | | Definition date: | 2011-05-13 | | Last modified: | 2021-03-01 | | Identifier: | N-[(2S,3R,4E)-1-{[alpha-D-galactopyranosyl-(1->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]hexacosanamide |
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 | | P5S | | Name: | O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine | | Formula: | C42 H82 N O10 P | | SMILES: | O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1 | | Synonyms: | phosphatidyl serine | | Definition date: | 2012-07-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-26 | | Identifier: | O-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine |
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 | | LUF | | Name: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one | | Formula: | C25 H38 O3 | | SMILES: | O=C1OC(O)C(=C1)CC/C=C(C)CCC=C(/C)CCC2=C(C)CCCC2(C)C | | InChi: | InChI=1S/C25H38O3/c1-18(11-7-13-21-17-23(26)28-24(21)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17,24,27H,6-9,12-16H2,1-5H3/b18-11+,19-10+/t24-/m0/s1 | | Synonyms: | Luffariellolide | | Definition date: | 2012-02-21 | | Last modified: | 2021-03-01 | | Release date: | 2012-09-28 | | Identifier: | (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one |
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 | | TM3 | | Name: | 2-[[6-[[[2-(3-hydroxypropyl)-5-methylphenyl]amino]methyl]-2-[[3-(4-morpholinyl)propyl]amino]-1H-benzimidazol-1-yl]methyl]-6-methyl-3-pyridinol | | Formula: | C32 H42 N6 O3 | | SMILES: | Cc1ccc(CCCO)c(NCc2ccc3nc(NCCCN4CCOCC4)n(Cc5nc(C)ccc5O)c3c2)c1 | | InChi: | InChI=1S/C32H42N6O3/c1-23-6-9-26(5-3-16-39)28(19-23)34-21-25-8-10-27-30(20-25)38(22-29-31(40)11-7-24(2)35-29)32(36-27)33-12-4-13-37-14-17-41-18-15-37/h6-11,19-20,34,39-40H,3-5,12-18,21-22H2,1-2H3,(H,33,36) | | Synonyms: | TMC353121 | | Definition date: | 2009-11-20 | | Last modified: | 2021-03-01 | | Identifier: | 2-[[6-[[[2-(3-hydroxypropyl)-5-methyl-phenyl]amino]methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol |
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 | | PYG | | Name: | BENZENE-1,2,3-TRIOL | | Formula: | C6 H6 O3 | | SMILES: | Oc1cccc(O)c1O | | InChi: | InChI=1S/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H | | Synonyms: | PYROGALLOL | | Definition date: | 2004-07-27 | | Last modified: | 2021-03-01 | | Identifier: | benzene-1,2,3-triol |
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 | | PYI | | Name: | 1-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-2-METHYLPYRIDINIUM | | Formula: | C14 H21 N4 O7 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1ccc[n+](c1C)Cc2cnc(nc2N)C | | InChi: | InChI=1S/C14H20N4O7P2/c1-10-12(5-7-24-27(22,23)25-26(19,20)21)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8H,5,7,9H2,1-2H3,(H4-,15,16,17,19,20,21,22,23)/p+1 | | Synonyms: | PYRITHIAMIN PYROPHOSPHATE | | Definition date: | 2005-11-17 | | Last modified: | 2021-03-01 | | Identifier: | 1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2-methylpyridinium |
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 | | OBE | | Name: | 3-(3-HYDROXY-BENZOYLOXY)-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID | | Formula: | C16 H19 N O5 | | SMILES: | [O-]C(=O)C3C1[NH+](C)C(CC1)CC3OC(=O)c2cccc(O)c2 | | InChi: | InChI=1S/C16H19NO5/c1-17-10-5-6-12(17)14(15(19)20)13(8-10)22-16(21)9-3-2-4-11(18)7-9/h2-4,7,10,12-14,18H,5-6,8H2,1H3,(H,19,20)/t10-,12+,13-,14+/m0/s1 | | Synonyms: | META-OXYBENZOYLECGONINE | | Definition date: | 2003-11-20 | | Last modified: | 2021-03-01 | | Identifier: | (1R,2R,3S,5S,8S)-3-{[(3-hydroxyphenyl)carbonyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane-2-carboxylate |
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 | | KOV | | Name: | (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | Formula: | C16 H16 N4 O8 S | | SMILES: | O=C(O)C=2N3C(=O)C(NC(=O)C(=NOC)/c1occc1)C3SCC=2COC(=O)N | | InChi: | InChI=1S/C16H16N4O8S/c1-26-19-9(8-3-2-4-27-8)12(21)18-10-13(22)20-11(15(23)24)7(5-28-16(17)25)6-29-14(10)20/h2-4,10,14H,5-6H2,1H3,(H2,17,25)(H,18,21)(H,23,24)/b19-9-/t10-,14-/m1/s1 | | Synonyms: | Cefuroxime | | Definition date: | 2013-05-13 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-05 | | Identifier: | (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | LUR | | Name: | {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid | | Formula: | C15 H13 Cl F N O2 | | SMILES: | Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C | | InChi: | InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20) | | Synonyms: | Lumiracoxib | | Definition date: | 2012-12-26 | | Last modified: | 2021-03-01 | | Release date: | 2013-01-25 | | Identifier: | {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid |
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 | | OBG | | Name: | 6-(benzyloxy)-9H-purin-2-amine | | Formula: | C12 H11 N5 O | | SMILES: | Nc1nc2[nH]cnc2c(OCc3ccccc3)n1 | | InChi: | InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17) | | Synonyms: | o6-benzylguanine | | Definition date: | 2010-01-06 | | Last modified: | 2021-03-01 | | Identifier: | 6-phenylmethoxy-9H-purin-2-amine |
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 | | ORA | | Name: | 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid | | Formula: | C16 H12 N2 O7 S2 | | SMILES: | O=S(=O)(O)c3c2c(ccc(O)c2/N=N/c1ccccc1)cc(c3)S(=O)(=O)O | | InChi: | InChI=1S/C16H12N2O7S2/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+ | | Synonyms: | Orange G | | Definition date: | 2010-10-27 | | Last modified: | 2021-03-01 | | Identifier: | 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid |
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 | | OBP | | Name: | 2'-HYDROXY-1,1'-BIPHENYL-2-SULFINIC ACID | | Formula: | C12 H10 O3 S | | SMILES: | O=S(O)c2c(c1ccccc1O)cccc2 | | InChi: | InChI=1S/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15) | | Synonyms: | 2'-HYDROXYBIPHENYL-2-SULFINIC ACID | | Definition date: | 2004-10-15 | | Last modified: | 2021-03-01 | | Identifier: | 2'-hydroxybiphenyl-2-sulfinic acid |
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 | | P6G | | Name: | HEXAETHYLENE GLYCOL | | Formula: | C12 H26 O7 | | SMILES: | O(CCO)CCOCCOCCOCCOCCO | | InChi: | InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2 | | Synonyms: | POLYETHYLENE GLYCOL PEG400 | | Definition date: | 2000-11-29 | | Last modified: | 2021-03-01 | | Identifier: | 3,6,9,12,15-pentaoxaheptadecane-1,17-diol |
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 | | ORI | | Name: | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid | | Formula: | C16 H12 N2 O4 S | | SMILES: | O=S(=O)(O)c3ccc(/N=N/c2c1ccccc1c(O)cc2)cc3 | | InChi: | InChI=1S/C16H12N2O4S/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22/h1-10,19H,(H,20,21,22)/b18-17+ | | Synonyms: | Orange I | | Definition date: | 2013-03-12 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-12 | | Identifier: | 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid |
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 | | MOX | | Name: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid | | Formula: | C18 H18 N2 O9 | | SMILES: | O=C(O)C(c1ccc(O)cc1)C(=O)NC(OC)(C=O)C2N=C(C(=C)CO2)C(=O)O | | InChi: | InChI=1S/C18H18N2O9/c1-9-7-29-17(19-13(9)16(26)27)18(8-21,28-2)20-14(23)12(15(24)25)10-3-5-11(22)6-4-10/h3-6,8,12,17,22H,1,7H2,2H3,(H,20,23)(H,24,25)(H,26,27)/t12-,17+,18-/m0/s1 | | Synonyms: | MOXALACTAM DERIVATIVE (open form) | | Definition date: | 2000-08-11 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2-[(1R)-1-{[(2S)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}-1-methoxy-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-oxazine-4-carboxylic acid |
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 | | PL7 | | Name: | (2E)-2-({(2S)-2-CARBOXY-2-[(PHENOXYACETYL)AMINO]ETHOXY}IMINO)PENTANEDIOIC ACID | | Formula: | C16 H18 N2 O9 | | SMILES: | O=C(O)CCC(=NOCC(C(=O)O)NC(=O)COc1ccccc1)/C(=O)O | | InChi: | InChI=1S/C16H18N2O9/c19-13(9-26-10-4-2-1-3-5-10)17-12(16(24)25)8-27-18-11(15(22)23)6-7-14(20)21/h1-5,12H,6-9H2,(H,17,19)(H,20,21)(H,22,23)(H,24,25)/b18-11+/t12-/m0/s1 | | Synonyms: | PHENYLACETYL LACTIVICIN | | Definition date: | 2006-12-23 | | Last modified: | 2021-03-01 | | Identifier: | (2E)-2-({(2S)-2-carboxy-2-[(phenoxyacetyl)amino]ethoxy}imino)pentanedioic acid |
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 | | QEI | | Name: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C12 H15 N5 O3 | | SMILES: | O=C1c2c(cnc2N=C(N1)N)CNC3C=CC(O)C3O | | InChi: | InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9+/m0/s1 | | Synonyms: | queuine | | Definition date: | 2007-12-13 | | Last modified: | 2021-03-01 | | Identifier: | 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | PLB | | Name: | 2-[(2,4-DICHLOROBENZOYL)AMINO]-5-(PYRIMIDIN-2-YLOXY)BENZOIC ACID | | Formula: | C18 H11 Cl2 N3 O4 | | SMILES: | Clc1ccc(c(Cl)c1)C(=O)Nc3c(C(=O)O)cc(Oc2ncccn2)cc3 | | InChi: | InChI=1S/C18H11Cl2N3O4/c19-10-2-4-12(14(20)8-10)16(24)23-15-5-3-11(9-13(15)17(25)26)27-18-21-6-1-7-22-18/h1-9H,(H,23,24)(H,25,26) | | Synonyms: | 5-(2-PYRIMIDINYLOXY)-2-BENZOYLAMINOBENZOIC ACID | | Definition date: | 2004-08-24 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2,4-dichlorophenyl)carbonyl]amino}-5-(pyrimidin-2-yloxy)benzoic acid |
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 | | LHP | | Name: | (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid | | Formula: | C27 H44 O4 | | SMILES: | O=C(O)CCC(C4C3(C(C2C(C1(CCC(OC(=O)CC)CC1CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C27H44O4/c1-5-25(30)31-19-12-14-26(3)18(16-19)7-8-20-22-10-9-21(17(2)6-11-24(28)29)27(22,4)15-13-23(20)26/h17-23H,5-16H2,1-4H3,(H,28,29)/t17-,18-,19-,20+,21-,22+,23+,26+,27-/m1/s1 | | Synonyms: | Lithocholic acid propionate | | Definition date: | 2013-02-08 | | Last modified: | 2021-03-01 | | Release date: | 2013-06-26 | | Identifier: | (3beta,5beta,9beta)-3-(propanoyloxy)cholan-24-oic acid |
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 | | PZA | | Name: | PYRAZINE-2-CARBOXAMIDE | | Formula: | C5 H5 N3 O | | SMILES: | O=C(N)c1nccnc1 | | InChi: | InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9) | | Synonyms: | Pyrazinamide | | Definition date: | 2004-09-06 | | Last modified: | 2021-03-01 | | Identifier: | pyrazine-2-carboxamide |
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 | | SEZ | | Name: | 1,3,5-trimethylbenzene | | Formula: | C9 H12 | | SMILES: | Cc1cc(C)cc(C)c1 | | InChi: | InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 | | Synonyms: | mesitylene | | Definition date: | 2020-11-13 | | Last modified: | 2021-03-01 | | Release date: | 2020-12-02 | | Identifier: | 1,3,5-trimethylbenzene |
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 | | 1KN | | Name: | (2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol | | Formula: | C12 H17 N O3 | | SMILES: | OC2C(c1ccc(OC)cc1)NC(C)C2O | | InChi: | InChI=1S/C12H17NO3/c1-7-11(14)12(15)10(13-7)8-3-5-9(16-2)6-4-8/h3-7,10-15H,1-2H3/t7-,10-,11+,12-/m0/s1 | | Synonyms: | N-desmethyl-4-epi-(+)-Codonopsinine | | Definition date: | 2013-03-08 | | Last modified: | 2021-03-01 | | Release date: | 2013-09-18 | | Identifier: | (2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol |
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