Analyte Name

N-Des(Difluorophenylcyclopropyl), N-2-(3aR,4S,6R,6aS)-6-(6-chloro-2-(propylthio))-4-[tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-(2-hydroxyethyloxy)amino]pyrimidin-5-yl Ticagrelor

Molecular Formula

C34 H50 Cl N9 O8 S2

Molecular Weight

812.399

Accurate Mass

811.291

SMILES

CCCSc1nc(Cl)c(Nc2nc(SCCC)nc3c2nnn3[C@@H]4C[C@H](OCCO)[C@H]5OC(C)(C)O[C@@H]45)c(N[C@@H]6C[C@H](OCCO)[C@H]7OC(C)(C)O[C@@H]67)n1

InChI

InChI=1S/C34H50ClN9O8S2/c1-7-13-53-31-38-27(35)21(28(39-31)36-17-15-19(47-11-9-45)25-23(17)49-33(3,4)51-25)37-29-22-30(41-32(40-29)54-14-8-2)44(43-42-22)18-16-20(48-12-10-46)26-24(18)50-34(5,6)52-26/h17-20,23-26,45-46H,7-16H2,1-6H3,(H,36,38,39)(H,37,40,41)/t17-,18-,19+,20+,23+,24+,25-,26-/m1/s1

IUPAC

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