Analyte Name

Deshydroxyethoxy Ticagrelor epimer

Molecular Formula

C21H24F2N6O3S

Molecular Weight

478.52

Accurate Mass

478.16

SMILES

O[C@H]([C@H]([C@H](C1)O)O)[C@@H]1N2C3=NC(SCCC)=NC(N[C@@H]4[C@@H](C5=CC(F)=C(C=C5)F)C4)=C3N=N2

InChI

InChI=1S/C21H24F2N6O3S/c1-2-5-33-21-25-19(24-13-7-10(13)9-3-4-11(22)12(23)6-9)16-20(26-21)29(28-27-16)14-8-15(30)18(32)17(14)31/h3-4,6,10,13-15,17-18,30-32H,2,5,7-8H2,1H3,(H,24,25,26)/t10-,13+,14-,15+,17+,18+/m1/s1

IUPAC

(1S,2S,3S,4R)-4-[7-[[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2,3-triol

Country of Origin

CANADA

Product Format

Neat