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Product Overview

Product Code

TRC-C251002

CAS Number

544686-20-6

Product Format

Neat

Molecular Formula

C17H10D4F3N3O2S

Molecular Weight

385.4

API Family

Celecoxib

Product Categories

TRC, Enzyme inhibitors, Enzyme inhibitors, API Reference Standards & Research Materials, Cyclooxygenase, Alzheimer's, Parkinson's, Stroke, Neuroinflammation Research Chemicals & Analytical Standards, Neuroinflammation Research Chemicals & Analytical Standards, Pain and Inflammation, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

169590-42-5

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Celecoxib-d4

CAS Number

544686-20-6

Molecular Formula

C17H10D4F3N3O2S

Molecular Weight

385.4

Accurate Mass

385.101

SMILES

CC(C=C1)=CC=C1C2=CC(C(F)(F)F)=NN2C3=C([2H])C([2H])=C(S(N)(=O)=O)C([2H])=C3[2H]

InChI

InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)/i6D,7D,8D,9D

IUPAC

2,3,5,6-tetradeuterio-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide

Unlabelled CAS Number

169590-42-5

SIL Type

Deuterium

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Celecoxib

Purity

>95% (HPLC)

Product Description

A labelled selective cyclooxygenase-2 (COX-2) inhibitor. Anti-inflammatory. Used in the treatment of familial adenomatous polyposis.

References: Simon, L.S., et al.: Arthritis Rheum., 41, 1591 (1998), Silverstein, F.E., et al.: J. Am. Med. Assoc., 284, 1247 (2000),

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