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Product Overview

Product Code

TRC-T437725

Product Format

Neat

Molecular Formula

C23 H28 F2 N6 O7 S2

Molecular Weight

602.63

API Family

Ticagrelor

Product Categories

TRC, Neuroinflammation Research Chemicals & Analytical Standards, Neuroinflammation Research Chemicals & Analytical Standards, Purinergic P2Y receptors, Pain and Inflammation, Impurity Reference Materials

Product Type

Impurity, API

Documentation

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Product Information

Chemical Data

Analyte Name

Ticagrelor TCG Sulfonate

Molecular Formula

C23 H28 F2 N6 O7 S2

Molecular Weight

602.63

Accurate Mass

602.1429

SMILES

CCCSc1nc(N[C@@H]2C[C@H]2c3ccc(F)c(F)c3)c4nnn([C@@H]5C[C@H](OCCOS(=O)(=O)O)[C@@H](O)[C@H]5O)c4n1

InChI

InChI=1S/C23H28F2N6O7S2/c1-2-7-39-23-27-21(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(20(33)19(16)32)37-5-6-38-40(34,35)36/h3-4,8,12,15-17,19-20,32-33H,2,5-7,9-10H2,1H3,(H,26,27,28)(H,34,35,36)/t12-,15+,16+,17-,19-,20+/m0/s1

IUPAC

2-[(1S,2S,3S,4R)-4-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-propylsulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentoxy]ethyl hydrogen sulfate

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ticagrelor

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