CHEBI:87714 - (R)-prasugrel hydrochloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-prasugrel hydrochloride
ChEBI ID CHEBI:87714
ChEBI ASCII Name (R)-prasugrel hydrochloride
Definition A hydrochloride obtained by reaction of (R)-prasugrel with one equivalent of hydrochloric acid (the racemic salt is a cardiovascular drug).
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C20H21ClFNO3S
Net Charge 0
Average Mass 409.904
Monoisotopic Mass 409.09147
InChI InChI=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-;/m1./s1
InChIKey JALHGCPDPSNJNY-FSRHSHDFSA-N
SMILES Cl.N1(CCC2=C(C1)C=C(S2)OC(C)=O)[C@H](C3=C(C=CC=C3)F)C(=O)C4CC4
ChEBI Ontology
Outgoing (R)-prasugrel hydrochloride (CHEBI:87714) has part (R)-prasugrel(1+) (CHEBI:87727)
(R)-prasugrel hydrochloride (CHEBI:87714) is a hydrochloride (CHEBI:36807)
(R)-prasugrel hydrochloride (CHEBI:87714) is enantiomer of (S)-prasugrel hydrochloride (CHEBI:87708)
Incoming prasugrel hydrochloride (CHEBI:87697) has part (R)-prasugrel hydrochloride (CHEBI:87714)
(S)-prasugrel hydrochloride (CHEBI:87708) is enantiomer of (R)-prasugrel hydrochloride (CHEBI:87714)
IUPAC Names
2-(acetyloxy)-5-[(1R)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium chloride
5-[(1R)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate hydrochloride
Last Modified
27 August 2015