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Product Overview

Product Code

TRC-D445305

CAS Number

274693-26-4

Product Format

Neat

Molecular Formula

C26 H32 F2 N6 O4 S

Molecular Weight

562.63

API Family

Ticagrelor

Product Categories

TRC, Impurity Reference Materials

Product Type

Impurity

Alternate CAS Number

Deleted: 1215268-18-0

Documentation

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Product Information

Chemical Data

Analyte Name

2-[{(3aS,4R,6S,6aa)-4-[7-[{(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl}amino]-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl}oxy]ethanol

CAS Number

274693-26-4

Molecular Formula

C26 H32 F2 N6 O4 S

Molecular Weight

562.63

Accurate Mass

562.2174

SMILES

CCCSc1nc(N[C@@H]2C[C@H]2c3ccc(F)c(F)c3)c4nnn([C@@H]5C[C@H](OCCO)[C@H]6OC(C)(C)O[C@@H]56)c4n1

InChI

InChI=1S/C26H32F2N6O4S/c1-4-9-39-25-30-23(29-17-11-14(17)13-5-6-15(27)16(28)10-13)20-24(31-25)34(33-32-20)18-12-19(36-8-7-35)22-21(18)37-26(2,3)38-22/h5-6,10,14,17-19,21-22,35H,4,7-9,11-12H2,1-3H3,(H,29,30,31)/t14-,17+,18+,19-,21-,22+/m0/s1

IUPAC

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

Alternate CAS Number

Deleted: 1215268-18-0

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ticagrelor

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Chemical Data

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Ticagrelor Acetonide

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