R-119251 (Prasugrel Metabolite)(Mixture of Diastereoisomers)

Nombre del analito

(2R)-2-amino-3-(((3Z)-3-(carboxymethylidene)-1-(2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl)piperidin-4-yl)disulfanyl)propanoic acid

Número CAS

239466-86-5

Fórmula molecular

C21 H25 F N2 O5 S2

Peso molecular

468.562

Masa exacta

468.119

SMILES

N[C@@H](CSSC1CCN(C/C/1=C/C(=O)O)C(C(=O)C2CC2)c3ccccc3F)C(=O)O

InChI

InChI=1S/C21H25FN2O5S2/c22-15-4-2-1-3-14(15)19(20(27)12-5-6-12)24-8-7-17(13(10-24)9-18(25)26)31-30-11-16(23)21(28)29/h1-4,9,12,16-17,19H,5-8,10-11,23H2,(H,25,26)(H,28,29)/b13-9-/t16-,17?,19?/m0/s1

IUPAC

(2R)-2-amino-3-[[(3Z)-3-(carboxymethylidene)-1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]piperidin-4-yl]disulfanyl]propanoic acid

Temperatura de envío

Room Temperature

País de origen

CANADA

Formato del producto

Neat