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CHEBI:3759 - clopidogrel sulfate

ChEBI IDCHEBI:3759
ChEBI Nameclopidogrel sulfate
Stars
Last Modified1 March 2015
DownloadsMolfile
FormulaH.C16H16ClNO2S.HO4S
Net Charge0
Average Mass419.908
Monoisotopic Mass419.02641
SMILESCOC(=O)[C@H](c1ccccc1Cl)N1CCc2sccc2C1.O=S(=O)([O-])O.[H+]
InChIInChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m0./s1
InChIKeyFDEODCTUSIWGLK-RSAXXLAASA-N
Roles Classification
Biological Role:
P2Y12 receptor antagonist  An antagonist at the P2Y12 receptor
Applications:
anticoagulant  An agent that prevents blood clotting.
platelet aggregation inhibitor  A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
ChEBI Ontology
Outgoing Relation(s)
clopidogrel sulfate (CHEBI:3759) has part clopidogrel (CHEBI:37941)
clopidogrel sulfate (CHEBI:3759) has role anticoagulant (CHEBI:50249)
clopidogrel sulfate (CHEBI:3759) has role P2Y12 receptor antagonist (CHEBI:68563)
clopidogrel sulfate (CHEBI:3759) has role platelet aggregation inhibitor (CHEBI:50427)
clopidogrel sulfate (CHEBI:3759) is a azaheterocycle sulfate salt (CHEBI:38017)
clopidogrel sulfate (CHEBI:3759) is a organoammonium sulfate salt (CHEBI:37852)
IUPAC Name 
5-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium hydrogen sulfate
Synonyms  Source
Clopidogrel bisulfateChemIDplus
Clopidogrel hemisulfateChemIDplus
Clopidogrel hydrogen sulfateChemIDplus
Brand Name  Source
PlavixDrugBank
Manual XrefsDatabases
D00769KEGG DRUG
DB00758DrugBank
Registry NumbersSources
Beilstein:9967887Beilstein
CAS:120202-66-6ChemIDplus