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CHEBI:87708 - (S)-prasugrel hydrochloride

ChEBI IDCHEBI:87708
ChEBI Name(S)-prasugrel hydrochloride
Stars
ASCII Name(S)-prasugrel hydrochloride
DefinitionA hydrochloride obtained by reaction of (S)-prasugrel with one equivalent of hydrochloric acid (the racemic salt is a cardiovascular drug).
Last Modified27 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H20FNO3S.HCl
Net Charge0
Average Mass409.910
Monoisotopic Mass409.09147
SMILESCC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)C1CC1)c1ccccc1F)C2.Cl
InChIInChI=1S/C20H20FNO3S.ClH/c1-12(23)25-18-10-14-11-22(9-8-17(14)26-18)19(20(24)13-6-7-13)15-4-2-3-5-16(15)21;/h2-5,10,13,19H,6-9,11H2,1H3;1H/t19-;/m0./s1
InChIKeyJALHGCPDPSNJNY-FYZYNONXSA-N
ChEBI Ontology
Outgoing Relation(s)
(S)-prasugrel hydrochloride (CHEBI:87708) has part (S)-prasugrel(1+) (CHEBI:87726)
(S)-prasugrel hydrochloride (CHEBI:87708) is a hydrochloride (CHEBI:36807)
(S)-prasugrel hydrochloride (CHEBI:87708) is enantiomer of (R)-prasugrel hydrochloride (CHEBI:87714)
Incoming Relation(s)
prasugrel hydrochloride (CHEBI:87697) has part (S)-prasugrel hydrochloride (CHEBI:87708)
(R)-prasugrel hydrochloride (CHEBI:87714) is enantiomer of (S)-prasugrel hydrochloride (CHEBI:87708)
IUPAC Names 
5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate hydrochloride
2-(acetyloxy)-5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium chloride