ent-Ticagrelor-d7

Product Specifications

Synonyms

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

Hazard Statement

No Data Available

Smiles

O[C@H]1[C@@H](O)[C@H](OCCO)C[C@@H]1N(N=N2)C3=C2C(N[C@@H](C4)[C@H]4C5=CC=C(F)C(F)=C5)=NC(SC([2H])([2H])C([2H])([2H])C([2H])([2H])[2H])=N3

Molecular Formula

C23H21D7F2N6O4S

Molecular Weight

529.61

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+/m1/s1/i1D3,2D2,7D2

Additionnal Information

IUPAC name: (1R,2R,3S,5R)-3-(7-(((1S,2R)-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