trans R-138727MP-13C6 (Prasugrel Metabolite Derivative)

Analyte Name

trans R-138727MP-13C6 (Prasugrel Metabolite Derivative)

Molecular Formula

13C6 C21 H28 F N O5 S

Molecular Weight

503.534

Accurate Mass

503.187

SMILES

CO[13c]1[13cH][13cH][13cH][13c]([13cH]1)C(=O)CSC2CCN(C/C/2=C\C(=O)O)C(C(=O)C3CC3)c4ccccc4F

InChI

InChI=1S/C27H28FNO5S/c1-34-20-6-4-5-18(13-20)23(30)16-35-24-11-12-29(15-19(24)14-25(31)32)26(27(33)17-9-10-17)21-7-2-3-8-22(21)28/h2-8,13-14,17,24,26H,9-12,15-16H2,1H3,(H,31,32)/b19-14+/i4+1,5+1,6+1,13+1,18+1,20+1

IUPAC

(2E)-2-[1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-[2-(3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-oxoethyl]sulfanylpiperidin-3-ylidene]acetic acid

SIL Type

Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat