Analyte Name

1',2'-diepi-ent-Ticagrelor-d7

Molecular Formula

C23H21D7F2N6O4S

Molecular Weight

529.61

Accurate Mass

529.23

SMILES

O[C@H]1[C@H]([C@@H](C[C@@H]1N2N=NC3=C2N=C(SC([2H])(C([2H])(C([2H])([2H])[2H])[2H])[2H])N=C3N[C@@H]4C[C@H]4C5=CC=C(C(F)=C5)F)OCCO)O

InChI

InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16-,17+,19+,20-/m0/s1/i1D3,2D2,7D2

IUPAC

(1R,2R,3S,5R)-3-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-((propyl-d7)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-5-(2-hydroxyethoxy)cyclopentane-1,2-diol

Unlabelled CAS Number

2435586-30-2

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat