Product Code

TRC-V090002

CAS Number

1189428-23-6

Product Format

Neat

Molecular Formula

13C2 C14 H14 15N N O3 S

Molecular Weight

317.34

API Family

Valdecoxib

Product Categories

TRC, Metabolites & bioactive compounds, Enzyme inhibitors, Metabolites & bioactive compounds, API Reference Standards & Research Materials, Prostanoid receptors, Sleep, Stroke, Neuroinflammation Research Chemicals & Analytical Standards, Neuroinflammation Research Chemicals & Analytical Standards, Pain and Inflammation, Stable isotopes, Pharmaceutical Toxicology Reference Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

181695-72-7

Price and availability

48-hour USA dispatch time

Freight restricted.

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Product Information

Chemical Data

Analyte Name

Valdecoxib-13C2, 15N

CAS Number

1189428-23-6

Molecular Formula

13C2 C14 H14 15N N O3 S

Molecular Weight

317.34

Accurate Mass

317.0763

SMILES

[13CH3][13c]1o[15n]c(c2ccccc2)c1c3ccc(cc3)S(=O)(=O)N

InChI

InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)/i1+1,11+1,18+1

IUPAC

4-(5-(1^{13}C)methyl-3-phenyl-(5^{13}C,2^{15}N)1,2-oxazol-4-yl)benzenesulfonamide

Unlabelled CAS Number

181695-72-7

SIL Type

Carbon, Nitrogen

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Valdecoxib

Product Description

Labelled Valdecoxib, a nonsteroidal anti-inflammatory drug (NSAID) that exhibits anti-inflammatory, analgesic and antipyretic properties in animal models. An inhibitor of prostaglandin synthesis primarily through inhibition of COX-2.

References: Yuan, J., et al.: Drug Metab. Dispos., 30, 1013

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