 | | KAA | | Name: | 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE | | Formula: | C16 H26 N8 O7 S | | SMILES: | O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)CCCCN | | InChi: | InChI=1S/C16H26N8O7S/c17-4-2-1-3-8(18)15(27)23-32(28,29)30-5-9-11(25)12(26)16(31-9)24-7-22-10-13(19)20-6-21-14(10)24/h6-9,11-12,16,25-26H,1-5,17-18H2,(H,23,27)(H2,19,20,21)/t8-,9+,11+,12+,16+/m0/s1 | | Synonyms: | 5'-O-[N-(L-LYSYL)SULFAMOYL]ADENOSINE | | Definition date: | 2007-04-13 | | Last modified: | 2020-06-17 | | Identifier: | 5'-O-(L-lysylsulfamoyl)adenosine |
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 | | ARE | | Name: | ACARBOSE DERIVED PENTASACCHARIDE | | Formula: | C31 H53 N O23 | | SMILES: | O(C3C(=CC(NC2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)C)C(O)C3O)CO)C5OC(C(OC4OC(CO)C(O)C(O)C4O)C(O)C5O)CO | | InChi: | InChI=1S/C31H53NO23/c1-7-13(16(39)22(45)29(49-7)54-26-11(5-35)50-28(48)21(44)19(26)42)32-9-2-8(3-33)25(18(41)14(9)37)53-31-24(47)20(43)27(12(6-36)52-31)55-30-23(46)17(40)15(38)10(4-34)51-30/h2,7,9-48H,3-6H2,1H3/t7-,9+,10-,11-,12-,13-,14+,15-,16+,17+,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29-,30-,31-/m1/s1 | | Synonyms: | 4-O-(4,6-DIDEOXY-4-{[4-[(4-O-HEXOPYRANOSYLHEXOPYRANOSYL)OXY]-5,6-DIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}HE
XOPYRANOSYL)HEXOPYRANOSE | | Definition date: | 2004-11-18 | | Last modified: | 2020-06-17 | | Identifier: | 4-O-(4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-[(4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranosyl)oxy]-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose |
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 | | ARU | | Name: | 5'-O-[(R)-{[(R)-[dibromo(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-N,N-diethyladenosine | | Formula: | C15 H24 Br2 N5 O12 P3 | | SMILES: | CCN(CC)c1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C(Br)(Br)[P](O)(O)=O)[CH](O)[CH]3O | | InChi: | InChI=1S/C15H24Br2N5O12P3/c1-3-21(4-2)12-9-13(19-6-18-12)22(7-20-9)14-11(24)10(23)8(33-14)5-32-37(30,31)34-36(28,29)15(16,17)35(25,26)27/h6-8,10-11,14,23-24H,3-5H2,1-2H3,(H,28,29)(H,30,31)(H2,25,26,27)/t8-,10-,11-,14-/m1/s1 | | Synonyms: | ARL 67156 | | Definition date: | 2009-12-07 | | Last modified: | 2020-06-17 | | Identifier: | [dibromo-[[[(2R,3S,4R,5R)-5-[6-(diethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]methyl]phosphonic acid |
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 | | KBR | | Name: | Icaridin | | Formula: | C12 H23 N O3 | | SMILES: | CC[CH](C)OC(=O)N1CCCC[CH]1CCO | | InChi: | InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3/t10-,11+/m1/s1 | | Synonyms: | Picaridin | | Definition date: | 2015-11-04 | | Last modified: | 2020-06-17 | | Release date: | 2016-08-31 | | Identifier: | [(2~{R})-butan-2-yl] (2~{S})-2-(2-hydroxyethyl)piperidine-1-carboxylate |
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 | | ATU | | Name: | 9-NITRO-5,12-DIHYDRO-7H-BENZO[2,3]AZEPINO[4,5-B]INDOL-6-ONE | | Formula: | C16 H11 N3 O3 | | SMILES: | [O-][N+](=O)c4cc1c(nc2c1CC(=O)Nc3ccccc23)cc4 | | InChi: | InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20) | | Synonyms: | ALSTERPAULLONE | | Definition date: | 2003-08-05 | | Last modified: | 2020-06-17 | | Identifier: | 9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one |
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 | | ATV | | Name: | 2-[(2R)-oxiran-2-ylmethyl]-1H-benzo[de]isoquinoline-1,3(2H)-dione | | Formula: | C15 H11 N O3 | | SMILES: | O=C1N(C[CH]2CO2)C(=O)c3cccc4cccc1c34 | | InChi: | InChI=1S/C15H11NO3/c17-14-11-5-1-3-9-4-2-6-12(13(9)11)15(18)16(14)7-10-8-19-10/h1-6,10H,7-8H2/t10-/m1/s1 | | Synonyms: | N-(2,3-epoxypropyl)-1,8-naphthalimide | | Definition date: | 2009-12-04 | | Last modified: | 2020-06-17 |
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 | | AUD | | Name: | Acesulfame | | Formula: | C4 H5 N O4 S | | SMILES: | CC=1OS(=O)(=O)NC(=O)C=1 | | InChi: | InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6) | | Synonyms: | 6-methyl-2H-1,2lambda~6~,3-oxathiazine-2,2,4(3H)-trione | | Definition date: | 2017-07-25 | | Last modified: | 2020-06-17 | | Release date: | 2018-02-07 | | Identifier: | 6-methyl-2H-1,2lambda~6~,3-oxathiazine-2,2,4(3H)-trione |
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 | | AUK | | Name: | 1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one | | Formula: | C25 H33 N O2 | | SMILES: | O=C2c1c(cccc1)N(O)C(=C2CC=C(/C)CCC=C(/C)CCC=C(/C)C)C | | InChi: | InChI=1S/C25H33NO2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-22-21(5)26(28)24-15-7-6-14-23(24)25(22)27/h6-7,10,12,14-16,28H,8-9,11,13,17H2,1-5H3/b19-12+,20-16+ | | Synonyms: | Aurachin C | | Definition date: | 2009-04-17 | | Last modified: | 2020-06-17 | | Identifier: | 1-hydroxy-2-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]quinolin-4(1H)-one |
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 | | KE1 | | Name: | meropenem, bound form | | Formula: | C17 H27 N3 O5 S | | SMILES: | C1(C)C(=C(NC1C(C=O)C(C)O)C(O)=O)SC2CNC(C2)C(N(C)C)=O | | InChi: | InChI=1S/C17H27N3O5S/c1-8-13(11(7-21)9(2)22)19-14(17(24)25)15(8)26-10-5-12(18-6-10)16(23)20(3)4/h7-13,18-19,22H,5-6H2,1-4H3,(H,24,25)/t8-,9-,10-,11-,12-,13-/m1/s1 | | Synonyms: | (4R,5S)-3-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-d
ihydro-1H-pyrrole-2-carboxylic acid | | Definition date: | 2018-11-27 | | Last modified: | 2020-06-17 | | Release date: | 2018-12-19 | | Identifier: | (4R,5S)-3-{[(3R,5R)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid |
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 | | AV3 | | Name: | 4-[(4-fluoro-2-methyl-3H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline | | Formula: | C25 H27 F N4 O3 | | SMILES: | c12CC(C)=Nc1ccc(c2F)Oc4c3cc(OC)c(cc3ncn4)OCCCN5CCCC5 | | InChi: | InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,13-15H,3-5,8-12H2,1-2H3 | | Synonyms: | Cediranib | | Definition date: | 2018-11-26 | | Last modified: | 2020-06-17 | | Release date: | 2020-01-01 | | Identifier: | 4-[(4-fluoro-2-methyl-3H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazoline |
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 | | KEA | | Name: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) | | Formula: | C9 H13 N6 O7 P | | SMILES: | C2(O)C(C(N1C=CC(N)=NC1=O)OC2COP(=O)(O)O)N=[N+]=[N-] | | InChi: | InChI=1S/C9H13N6O7P/c10-5-1-2-15(9(17)12-5)8-6(13-14-11)7(16)4(22-8)3-21-23(18,19)20/h1-2,4,6-8,16H,3H2,(H2,10,12,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1 | | Synonyms: | 2'-azidocytidine monophosphate | | Definition date: | 2018-11-28 | | Last modified: | 2020-06-17 | | Release date: | 2019-11-27 | | Identifier: | 2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate) |
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 | | AV6 | | Name: | 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol | | Formula: | C17 H14 N2 O2 | | SMILES: | N=3c2cccc1cccc(c12)NC=3c4ccc(O)c(O)c4 | | InChi: | InChI=1S/C17H14N2O2/c20-14-8-7-11(9-15(14)21)17-18-12-5-1-3-10-4-2-6-13(19-17)16(10)12/h1-9,17-21H | | Synonyms: | 4-{2,4-DIAZATRICYCLO[7.3.1.0]TRIDECA- 1(12),5,7,9(13),10-PENTAEN-3-YL}BENZENE-1,2-DIOL | | Definition date: | 2011-05-03 | | Last modified: | 2020-06-17 | | Identifier: | 4-(2,3-dihydro-1H-perimidin-2-yl)benzene-1,2-diol |
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 | | AVE | | Name: | 4-[3-(2-Chloro-4,5-difluoro-benzoyl)ureido]-3-trifluoromethoxybenzoic acid | | Formula: | C16 H8 Cl F5 N2 O5 | | SMILES: | O=C(c1cc(F)c(F)cc1Cl)NC(=O)Nc2ccc(C(=O)O)cc2OC(F)(F)F | | InChi: | InChI=1S/C16H8ClF5N2O5/c17-8-5-10(19)9(18)4-7(8)13(25)24-15(28)23-11-2-1-6(14(26)27)3-12(11)29-16(20,21)22/h1-5H,(H,26,27)(H2,23,24,25,28) | | Synonyms: | 4-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-3-(trifluoromethoxy)benzoic acid | | Definition date: | 2008-03-10 | | Last modified: | 2020-06-17 | | Identifier: | 4-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-3-(trifluoromethoxy)benzoic acid |
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 | | AVF | | Name: | 1-{2-[3-(2-Chloro-4,5-difluoro-benzoyl)-ureido]-4-fluoro-phenyl}-piperidine-4-carboxylic acid | | Formula: | C20 H17 Cl F3 N3 O4 | | SMILES: | Fc1cc(c(Cl)cc1F)C(=O)NC(=O)Nc2cc(F)ccc2N3CCC(C(=O)O)CC3 | | InChi: | InChI=1S/C20H17ClF3N3O4/c21-13-9-15(24)14(23)8-12(13)18(28)26-20(31)25-16-7-11(22)1-2-17(16)27-5-3-10(4-6-27)19(29)30/h1-2,7-10H,3-6H2,(H,29,30)(H2,25,26,28,31) | | Synonyms: | 1-[2-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-4-fluorophenyl]piperidine-4-carboxylic acid | | Definition date: | 2008-03-11 | | Last modified: | 2020-06-17 | | Identifier: | 1-[2-({[(2-chloro-4,5-difluorophenyl)carbonyl]carbamoyl}amino)-4-fluorophenyl]piperidine-4-carboxylic acid |
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 | | PBU | | Name: | (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1
,2-DIYL DIBUTANOATE | | Formula: | C17 H33 O19 P3 | | SMILES: | O=C(OCC(OC(=O)CCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCC | | InChi: | InChI=1S/C17H33O19P3/c1-3-5-10(18)31-7-9(33-11(19)6-4-2)8-32-39(29,30)36-15-12(20)13(21)16(34-37(23,24)25)17(14(15)22)35-38(26,27)28/h9,12-17,20-22H,3-8H2,1-2H3,(H,29,30)(H2,23,24,25)(H2,26,27,28)/t9-,12-,13+,14+,15-,16-,17-/m1/s1 | | Synonyms: | di-butanoyl L-alpha-phosphatidyl-D-myo-inositol 4,5-bisphosphate | | Definition date: | 2006-05-25 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-{[(S)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dibutanoate |
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 | | AVU | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl
[(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | | Formula: | C15 H22 F N5 O12 P2 | | SMILES: | FC1C(O)C(OC1)COP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C15H22FN5O12P2/c16-6-1-29-7(10(6)22)2-30-34(25,26)33-35(27,28)31-3-8-11(23)12(24)15(32-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-24H,1-3H2,(H,25,26)(H,27,28)(H2,17,18,19)/t6-,7-,8-,10+,11-,12-,15-/m1/s1 | | Synonyms: | arabinosyl-2-fluoro-deoxy-adenosine diphosphate ribose, ara-2'F-ADPR | | Definition date: | 2009-07-14 | | Last modified: | 2020-06-17 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R)-4-fluoro-3-hydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | PCP | | Name: | 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE | | Formula: | C6 H15 O13 P3 | | SMILES: | O=P(OC1CC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O | | InChi: | InChI=1S/C6H15O13P3/c7-5-3(2-17-20(9,10)11)1-4(6(5)8)18-22(15,16)19-21(12,13)14/h3-8H,1-2H2,(H,15,16)(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6+/m1/s1 | | Synonyms: | CARBOXYLIC PRPP | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2R,3R,4R)-2,3-dihydroxy-4-[(phosphonooxy)methyl]cyclopentyl trihydrogen diphosphate |
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 | | PDH | | Name: | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | | Formula: | C9 H13 N O | | SMILES: | OCC(N)Cc1ccccc1 | | InChi: | InChI=1S/C9H13NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,9,11H,6-7,10H2/t9-/m1/s1 | | Synonyms: | D-PHENYLALANINOL | | Definition date: | 2001-11-16 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-amino-3-phenylpropan-1-ol |
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 | | AXO | | Name: | (1E)-N-hydroxyethanimine | | Formula: | C2 H5 N O | | SMILES: | N(/O)=CC | | InChi: | InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/b3-2+ | | Synonyms: | Acetaldoxime | | Definition date: | 2013-08-07 | | Last modified: | 2020-06-17 | | Release date: | 2014-05-28 | | Identifier: | (1E)-N-hydroxyethanimine |
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 | | AYE | | Name: | prop-2-en-1-amine | | Formula: | C3 H7 N | | SMILES: | C=CCN | | InChi: | InChI=1S/C3H7N/c1-2-3-4/h2H,1,3-4H2 | | Synonyms: | ALLYLAMINE | | Definition date: | 2009-02-02 | | Last modified: | 2020-06-17 | | Identifier: | prop-2-en-1-amine |
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 | | PF3 | | Name: | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | | Formula: | C25 H20 N2 O3 S | | SMILES: | O=C(O)CC(c1ccccc1)NC(=O)c4scc(c3ccc(c2ccncc2)cc3)c4 | | InChi: | InChI=1S/C25H20N2O3S/c28-24(29)15-22(20-4-2-1-3-5-20)27-25(30)23-14-21(16-31-23)18-8-6-17(7-9-18)19-10-12-26-13-11-19/h1-14,16,22H,15H2,(H,27,30)(H,28,29)/t22-/m1/s1 | | Synonyms: | PF-00356231 | | Definition date: | 2003-12-12 | | Last modified: | 2020-06-17 | | Identifier: | (3R)-3-phenyl-3-({[4-(4-pyridin-4-ylphenyl)thiophen-2-yl]carbonyl}amino)propanoic acid |
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 | | AZS | | Name: | O-DIAZOACETYL-L-SERINE | | Formula: | C5 H7 N3 O4 | | SMILES: | O=C(OCC(N)C(=O)O)C=[N+]=[N-] | | InChi: | InChI=1S/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)/t3-/m0/s1 | | Synonyms: | ASASERINE | | Definition date: | 2007-09-20 | | Last modified: | 2020-06-17 | | Identifier: | O-(diazoacetyl)-L-serine |
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 | | PFU | | Name: | (1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol | | Formula: | C9 H14 N3 O9 P | | SMILES: | O=C(N)c1c(O)c(nn1)C2OC(COP(=O)(O)O)C(O)C2O | | InChi: | InChI=1S/C9H14N3O9P/c10-9(16)4-6(14)3(11-12-4)8-7(15)5(13)2(21-8)1-20-22(17,18)19/h2,5,7-8,13-15H,1H2,(H2,10,16)(H,11,12)(H2,17,18,19)/t2-,5-,7-,8+/m1/s1 | | Synonyms: | Pyrazofurin Monophosphate | | Definition date: | 2010-04-13 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol |
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 | | AZZ | | Name: | 3'-azido-3'-deoxythymidine | | Formula: | C10 H13 N5 O4 | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(N=[N+]=[N-])C2)CO | | InChi: | InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1 | | Synonyms: | Azidothymidine | | Definition date: | 2007-11-14 | | Last modified: | 2020-06-17 | | Identifier: | 3'-azido-3'-deoxythymidine |
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 | | PGW | | Name: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl
(9Z)-octadec-9-enoate | | Formula: | C40 H77 O10 P | | SMILES: | O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C40H77O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41-42H,3-16,19-36H2,1-2H3,(H,45,46)/b18-17-/t37-,38+/m0/s1 | | Synonyms: | 1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)] | | Definition date: | 2007-11-02 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate |
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