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Valdecoxib-[d3]

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General Information
Catalog: BLP-012646
CAS: 1219794-90-7
Molecular Formula: C16H11D3N2O3S
Molecular Weight: 317.38

Chemical Structure

Description	Valdecoxib-[d3] is the labelled analogue of Valdecoxib. Valdecoxib is a non-steroidal anti-inflammatory drug (NSAID) used for the treatment of osteoarthritis, rheumatoid arthritis, etc. Valdecoxib exhibits a selectively inhibitory effect of cyclooxygenase-2.
Synonyms	Valdecoxib D3; 4-(5-Methyl-d3-3-phenyl-4-isoxazolyl)benzenesulfonamide
IUPAC Name	4-[3-phenyl-5-(trideuteriomethyl)-1,2-oxazol-4-yl]benzenesulfonamide
Related CAS	181695-72-7 (unlabelled)
Canonical SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)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)/i1D3
InChI Key	LNPDTQAFDNKSHK-FIBGUPNXSA-N
Boiling Point	481.2±55.0 °C at 760 mmHg
Purity	95% by HPLC; 98% atom D
Density	1.3±0.1 g/cm3