ent-Ticagrelor

Product Specifications

CAS Number

2096989-55-6

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; (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)-1,2-cyclopentanediol

Hazard Statement

No Data Available

Smiles

N(C1=C2C(N(N=N2)[C@H]3C[C@@H](OCCO)[C@H](O)[C@@H]3O)=NC(SCCC)=N1)[C@@H]4[C@H](C4)C5=CC(F)=C(F)C=C5

Molecular Formula

C23H28F2N6O4S

Molecular Weight

522.57

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

Additionnal Information

IUPAC name: (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