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Product Overview

Product Code

TRC-R638002

CAS Number

2012598-81-9

Product Format

Neat

Molecular Formula

C16H8D5F4NO2

Molecular Weight

332.3

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

220991-32-2

Product Information

Chemical Data

Analyte Name

Robenacoxib-d5

CAS Number

2012598-81-9

Molecular Formula

C16H8D5F4NO2

Molecular Weight

332.3

Accurate Mass

332.12

SMILES

FC(C(F)=C1)=C(C(F)=C1F)NC(C=C2)=C(CC(O)=O)C=C2C([2H])(C([2H])([2H])[2H])[2H]

InChI

InChI=1S/C16H13F4NO2/c1-2-8-3-4-12(9(5-8)6-13(22)23)21-16-14(19)10(17)7-11(18)15(16)20/h3-5,7,21H,2,6H2,1H3,(H,22,23)/i1D3,2D2

IUPAC

2-(5-(ethyl-d5)-2-((2,3,5,6-tetrafluorophenyl)amino)phenyl)acetic acid

Unlabelled CAS Number

220991-32-2

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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