1.0 2016-09-30 23:14:36 UTC 2020-05-11 20:45:54 UTC BMDB0005011 BMDB05011 Clopidogrel (+)-Clopidogrel Clopidogrelum Plavix (+)-(S)-Clopidogrel (S)-Clopidogrel Clopidogrel bisulfate Clopidogrel bisulphate Isocover Clopidogrel sandoz Clopidogrel hydrochloride BMS Brand 1 OF clopidogrel bisulfate Clopidogrel napadisilate Clopidogrel, (+)(S)-isomer BMS Brand 2 OF clopidogrel bisulfate Clopidogrel besylate Iscover Clopidogrel-mepha Clopidogrel besilate Clopidogrel mepha C16H16ClNO2S 321.822 321.059027158 methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate clopidogrel 113665-84-2 [H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1 GKTWGGQPFAXNFI-HNNXBMFYSA-N belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Alpha amino acid esters Aralkylamines Aryl chlorides Azacyclic compounds Carbonyl compounds Chlorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Methyl esters Monocarboxylic acids and derivatives Organic oxides Organochlorides Organopnictogen compounds Pyridines and derivatives Thienopyridines Thiophenes Trialkylamines Alpha-amino acid ester Amine Aralkylamine Aromatic heteropolycyclic compound Aryl chloride Aryl halide Azacycle Benzenoid Carbonyl group Carboxylic acid ester Chlorobenzene Halobenzene Heteroaromatic compound Hydrocarbon derivative Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Tertiary aliphatic amine Tertiary amine Thienopyridine Thiophene Aromatic heteropolycyclic compounds methyl ester monochlorobenzenes thienopyridine Solid logp 3.84 ALOGPS logs -4.43 ALOGPS logp 4.03 ChemAxon pka_strongest_basic 5.14 ChemAxon iupac methyl (2S)-2-(2-chlorophenyl)-2-{4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}acetate ChemAxon average_mass 321.822 ChemAxon mono_mass 321.059027158 ChemAxon smiles [H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl ChemAxon formula C16H16ClNO2S ChemAxon inchi InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3/t15-/m0/s1 ChemAxon inchikey GKTWGGQPFAXNFI-HNNXBMFYSA-N ChemAxon polar_surface_area 29.54 ChemAxon refractivity 84.93 ChemAxon polarizability 33.19 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 25709 Specdb::CMs 130970 Specdb::CMs 138704 Specdb::MsMs 46551 Specdb::MsMs 46552 Specdb::MsMs 46553 Specdb::MsMs 163434 Specdb::MsMs 163435 Specdb::MsMs 163436 Specdb::MsMs 374557 Specdb::MsMs 450548 Specdb::MsMs 451811 Specdb::MsMs 2228759 Specdb::MsMs 2231199 Specdb::MsMs 2232980 Specdb::MsMs 2233553 Specdb::MsMs 2235405 Specdb::MsMs 2243317 Specdb::MsMs 2258170 Specdb::MsMs 2462140 Specdb::MsMs 2462141 Specdb::MsMs 2462142 Specdb::MsMs 2500307 Specdb::MsMs 2500308 Specdb::MsMs 2500309 Liver Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 Platelet Wishart DS, Feunang YD, Marcu A, Guo AC, Liang K, Vazquez-Fresno R, Sajed T, Johnson D, Li C, Karu N, Sayeeda Z, Lo E, Assempour N, Berjanskii M, Singhal S, Arndt D, Liang Y, Badran H, Grant J, Serra-Cayuela A, Liu Y, Mandal R, Neveu V, Pon A, Knox C, Wilson M, Manach C, Scalbert A: HMDB 4.0: the human metabolome database for 2018. Nucleic Acids Res. 2018 Jan 4;46(D1):D608-D617. doi: 10.1093/nar/gkx1089. 29140435 DB00758 FDB023584 60606 54632 37941 Clopidogrel 3965 Bousquet, Andre; Musolino, Andree. Hydroxyacetic ester derivatives, namely (R)-methyl 2-(sulfonyloxy)-2-(chlorophenyl)acetates, preparation method, and use as synthesis intermediates for clopidogrel. PCT Int. Appl. (1999), 35 p