Analyte Name

Deshydroxy Ticagrelor Acetonide Methanesulfonate

CAS Number

1902183-99-6

Molecular Formula

C27 H34 F2 N6 O6 S2

Molecular Weight

640.722

Accurate Mass

640.195

SMILES

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

InChI

InChI=1S/C27H34F2N6O6S2/c1-5-10-42-26-31-24(30-18-12-15(18)14-6-7-16(28)17(29)11-14)21-25(32-26)35(34-33-21)19-13-20(38-8-9-39-43(4,36)37)23-22(19)40-27(2,3)41-23/h6-7,11,15,18-20,22-23H,5,8-10,12-13H2,1-4H3,(H,30,31,32)/t15-,18+,19+,20-,22-,23+/m0/s1

IUPAC

2-[[(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-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]ethyl methanesulfonate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat