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Valdecoxib Sulfonyl Chloride-[13C2,15N]

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Valdecoxib Sulfonyl Chloride-[13C2,15N]

Name: Valdecoxib Sulfonyl Chloride-[13C2,15N]
Brand: BOC Sciences
Rating: 5 (1 reviews)

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General Information
Catalog: BLP-007562
CAS: 1391051-92-5
Molecular Formula: C14[13C]2H12Cl[15N]O3S
Molecular Weight: 336.77

Chemical Structure

Description	Valdecoxib Sulfonyl Chloride-[13C2,15N] is a labelled metabolite 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	4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonyl Chloride-13C2,15N; Valdecoxib Impurity F-13C2,15N
IUPAC Name	4-(5-(1-13C)methyl-3-phenyl-(5-13C,2-15N)1,2-oxazol-4-yl)benzenesulfonyl chloride
Related CAS	509074-26-4 (unlabelled)
Canonical SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)Cl
InChI	InChI=1S/C16H12ClNO3S/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/i1+1,11+1,18+1
InChI Key	NVKQPOHDVWNXRP-LQFUBYOBSA-N