Analyte Name

Deshydroxyethoxy Ticagrelor

CAS Number

220347-05-7

Molecular Formula

C21 H24 F2 N6 O3 S

Molecular Weight

478.52

Accurate Mass

478.1599

SMILES

CCCSc1nc(N[C@@H]2C[C@H]2c3ccc(F)c(F)c3)c4nnn([C@@H]5C[C@H](O)[C@@H](O)[C@H]5O)c4n1

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+/m0/s1

IUPAC

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

Storage Temperature

Ice pack(-20°C)

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Impurity

Product Format

Neat

API Family