Product Code

TRC-T437710

CAS Number

2096989-55-6

Product Format

Neat

Molecular Formula

C23H28F2N6O4S

Molecular Weight

522.57

Product Categories

Purinergic P2Y receptors, Pain and Inflammation, Impurity Reference Materials , TRC, Chiral catalysts, ligands, & reagents

Product Type

Synthesis Tools

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

ent-Ticagrelor

CAS Number

2096989-55-6

Molecular Formula

C23H28F2N6O4S

Molecular Weight

522.57

Accurate Mass

522.19

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

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

IUPAC

(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

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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