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Product Overview

Product Code

TRC-D290047

Product Format

Neat

Molecular Formula

C21H17D7F2N6O3S

Molecular Weight

485.56

Product Categories

TRC, Additional pharmaceutical toxicology reference materials, Drug derivatives & metabolites, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Reference Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, Impurity

Unlabelled CAS Number

220347-05-7

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Deshydroxyethoxy Ticagrelor-d7

Molecular Formula

C21H17D7F2N6O3S

Molecular Weight

485.56

Accurate Mass

485.2

SMILES

FC1=CC([C@H]2[C@H](NC3=NC(SC([2H])(C([2H])(C([2H])([2H])[2H])[2H])[2H])=NC4=C3N=NN4[C@H]5[C@@H]([C@@H]([C@H](C5)O)O)O)C2)=CC=C1F

InChI

InChI=1S/C21H24F2N6O3S/c1-2-5-33-21-25-19(24-13-7-10(13)9-3-4-11(22)12(23)6-9)16-20(26-21)29(28-27-16)14-8-15(30)18(32)17(14)31/h3-4,6,10,13-15,17-18,30-32H,2,5,7-8H2,1H3,(H,24,25,26)/t10-,13+,14+,15-,17-,18+/m0/s1/i1D3,2D2,5D2

IUPAC

(1S,2R,3S,4R)-4-(7-(((1R,2S)-2-(3,4-difluorophenyl)cyclopropyl)amino)-5-((propyl-d7)thio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)cyclopentane-1,2,3-triol

Unlabelled CAS Number

220347-05-7

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)

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