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Valdecoxib-[13C2,15N]

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General Information
Catalog: BLP-012142
CAS: 1189428-23-6
Molecular Formula: C14[13C]H14N[15N]O3S
Molecular Weight: 317.34

Chemical Structure

Synonyms	Valdecoxib 13C2,15N
IUPAC Name	4-(5-(1-13C)methyl-3-phenyl-(5-13C,2-15N)1,2-oxazol-4-yl)benzenesulfonamide
Related CAS	181695-72-7 (unlabelled)
Isomeric SMILES	[13CH3][13C]1=C(C(=[15N]O1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N
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)/i1+1,11+1,18+1
InChI Key	LNPDTQAFDNKSHK-LQFUBYOBSA-N
Purity	95% atom 13C; 95% atom 15N
Density	1.3±0.1 g/cm3
Solubility	Soluble in Methanol
Appearance	White to Off-white Solid
Application	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.
Storage	Store at -20°C