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CHEBI:87724 - (S)-prasugrel

ChEBI IDCHEBI:87724
ChEBI Name(S)-prasugrel
Stars
ASCII Name(S)-prasugrel
DefinitionAn 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate that is the (S)-enantiomer of prasugrel (the racemate is a cardiovascular drug).
Last Modified22 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC20H20FNO3S
Net Charge0
Average Mass373.449
Monoisotopic Mass373.11479
SMILESCC(=O)Oc1cc2c(s1)CCN([C@H](C(=O)C1CC1)c1ccccc1F)C2
InChIInChI=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/t19-/m0/s1
InChIKeyDTGLZDAWLRGWQN-IBGZPJMESA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-prasugrel (CHEBI:87724) is a 5-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate (CHEBI:87723)
(S)-prasugrel (CHEBI:87724) is conjugate base of (S)-prasugrel(1+) (CHEBI:87726)
(S)-prasugrel (CHEBI:87724) is enantiomer of (R)-prasugrel (CHEBI:87725)
Incoming Relation(s)
prasugrel (CHEBI:87715) has part (S)-prasugrel (CHEBI:87724)
(S)-prasugrel(1+) (CHEBI:87726) is conjugate acid of (S)-prasugrel (CHEBI:87724)
(R)-prasugrel (CHEBI:87725) is enantiomer of (S)-prasugrel (CHEBI:87724)
IUPAC Name 
5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate
Registry NumbersSources
Reaxys:23246386Reaxys