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Valdecoxib D3

Chemical Name Valdecoxib D3
CAT No. CS-W-00163
CAS Registry# 1219794-90-7
Status Prompt Dispatch
Category Stable Isotopes
Mol. Wt. 317.38 g/mol
Mol. For. C₁₆H₁₁D₃N₂O₃S
Hazardous This is a Hazardous Compound
COA View Sample COA

Additional Information


Controlled No
Parent API Valdecoxib
Purity Not less than 95 %
Isotopic Enrichment Not less than 98 %
Smileys O=S(C1=CC=C(C2=C(C([2H])([2H])[2H])ON=C2C3=CC=CC=C3)C=C1)(N)=O
Canonical Smiles CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
InchIKey LNPDTQAFDNKSHK-FIBGUPNXSA-N
Inchl 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)/i1D3
IUPAC 4-[3-phenyl-5-(trideuteriomethyl)-1,2-oxazol-4-yl]benzenesulfonamide
Hazardous Yes


Usage and description


Valdecoxib D3 is a deuterated form of Valdecoxib, which is a non-steroidal anti-inflammatory drug (NSAID) used to treat pain and inflammation associated with osteoarthritis, rheumatoid arthritis, and menstrual cramps. It is also known by its brand name, Bextra. Valdecoxib D3 is commonly used in pharmaceutical research and drug development as a stable isotope-labeled internal standard for quantification of Valdecoxib in biological samples. The chemical formula of Valdecoxib D3 is C16H11D3N2O3S, with a molecular weight of 321.4 g/mol. It is a yellow crystalline powder that is highly soluble in organic solvents. The deuterium atoms in Valdecoxib D3 replace the hydrogen atoms in Valdecoxib, making it a useful tool for analyzing the pharmacokinetics and metabolism of Valdecoxib in biological systems. Valdecoxib D3 works by inhibiting the cyclooxygenase-2 (COX-2) enzyme, which plays a key role in the production of prostaglandins that cause pain and inflammation. By inhibiting COX-2, Valdecoxib D3 reduces the levels of prostaglandins in the body, leading to pain relief and reduced inflammation. In conclusion, Valdecoxib D3 is a valuable tool in pharmaceutical research and drug development for the quantification of Valdecoxib in biological samples. Its chemical structure and mechanism of action make it effective in treating pain and inflammation associated with various medical conditions.

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