CHEBI:87726 - (S)-prasugrel(1+)

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ChEBI Name (S)-prasugrel(1+)
ChEBI ID CHEBI:87726
ChEBI ASCII Name (S)-prasugrel(1+)
Definition An organic cation resulting from the protonation of the amino group of (S)-prasugrel.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C20H21FNO3S
Net Charge +1
Average Mass 374.451
Monoisotopic Mass 374.12207
InChI InChI=1S/C20H20FNO3S/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/p+1/t19-/m0/s1
InChIKey DTGLZDAWLRGWQN-IBGZPJMESA-O
SMILES [NH+]1(CCC2=C(C1)C=C(S2)OC(C)=O)[C@@H](C3=C(C=CC=C3)F)C(=O)C4CC4
ChEBI Ontology
Outgoing (S)-prasugrel(1+) (CHEBI:87726) is a ammonium ion derivative (CHEBI:35274)
(S)-prasugrel(1+) (CHEBI:87726) is a organic cation (CHEBI:25697)
(S)-prasugrel(1+) (CHEBI:87726) is conjugate acid of (S)-prasugrel (CHEBI:87724)
(S)-prasugrel(1+) (CHEBI:87726) is enantiomer of (R)-prasugrel(1+) (CHEBI:87727)
Incoming (S)-prasugrel hydrochloride (CHEBI:87708) has part (S)-prasugrel(1+) (CHEBI:87726)
(S)-prasugrel (CHEBI:87724) is conjugate base of (S)-prasugrel(1+) (CHEBI:87726)
(R)-prasugrel(1+) (CHEBI:87727) is enantiomer of (S)-prasugrel(1+) (CHEBI:87726)
IUPAC Name
2-(acetyloxy)-5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium
Last Modified
27 August 2015