Analyte Name

(1S,2R)-Ticagrelor Acetonide

CAS Number

2236556-48-0

Molecular Formula

C26 H32 F2 N6 O4 S

Molecular Weight

562.632

Accurate Mass

562.217

SMILES

CCCSc1nc(N[C@H]2C[C@@H]2c3ccc(F)c(F)c3)c4nnn([C@@H]5C[C@H](OCCO)[C@H]6OC(C)(C)O[C@@H]56)c4n1

InChI

InChI=1S/C26H32F2N6O4S/c1-4-9-39-25-30-23(29-17-11-14(17)13-5-6-15(27)16(28)10-13)20-24(31-25)34(33-32-20)18-12-19(36-8-7-35)22-21(18)37-26(2,3)38-22/h5-6,10,14,17-19,21-22,35H,4,7-9,11-12H2,1-3H3,(H,29,30,31)/t14-,17+,18-,19+,21+,22-/m1/s1

IUPAC

2-[[(3aR,4S,6R,6aS)-6-[7-[[(1S,2R)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]oxy]ethanol

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat