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Product Overview

Product Code

TRC-V670002

CAS Number

544684-93-7

Product Format

Neat

Molecular Formula

C17 2H5 H9 O4 S

Molecular Weight

319.387

API Family

Rofecoxib

Product Categories

TRC, Bioactive small molecules, Enzyme inhibitors, Cyclooxygenase, Alzheimer's, Parkinson's, Stroke, Neuroinflammation Research Chemicals & Analytical Standards, Neuroinflammation Research Chemicals & Analytical Standards, Pain and Inflammation, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, Impurity, API

Unlabelled CAS Number

162011-90-7

Documentation

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Product Information

Chemical Data

Analyte Name

Vioxx-d5

CAS Number

544684-93-7

Molecular Formula

C17 2H5 H9 O4 S

Molecular Weight

319.387

Accurate Mass

319.093

SMILES

[2H]c1c([2H])c([2H])c(C2=C(COC2=O)c3ccc(cc3)S(=O)(=O)C)c([2H])c1[2H]

InChI

InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3/i2D,3D,4D,5D,6D

IUPAC

3-(4-methylsulfonylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2H-furan-5-one

Unlabelled CAS Number

162011-90-7

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

API Family

Rofecoxib

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Vioxx-d5 (Major)

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