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Substrate Report for: 2-oxo-clopidogrel

Name Class
2-oxo-clopidogrelType (5)
Other_Name (7)
Chemical_Nomenclaturemethyl 2-(2-chlorophenyl)-2-(2-oxo-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate
FormulaC16H16ClNO3S
CAS_number1147350-75-1
MW337.81
Pick_me_to_calldisplay_script2-oxo-clopidogrel
PaperJiang_2017_Front.Pharmacol_8_846
Comment2-oxo-clopidogrel is the product of hydrolysis of Vicagrel by CES2 and AADAC and is the substrate of hepathic CES1
Gene_locushuman-CES1
CID13748464
FamilyCarb_B_Chordata
InChIKeyJBSAZVIMJUOBNB-UHFFFAOYSA-N
JBSAZVIMJUOBNB-WUJWULDRSA-N
CanonicalSMILESCOC(=O)C(C1=CC=CC=C1Cl)N2CCC3C(=CC(=O)S3)C2
InChIInChI=1S/C16H16ClNO3S/c1-21-16(20)15(11-4-2-3-5-12(11)17)18-7-6-13-10(9-18)8-14(19)22-13/h2-5,8,13,15H,6-7,9H2,1H3
Wikipedia2-oxo-clopidogrel

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Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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