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* Service & Products of Interested: [Isotope Labeled Impurities] Valdecoxib Sulfonic Acid-[13C2,15N] (1391053-52-3)
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Valdecoxib Sulfonic Acid-[13C2,15N]

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General Information
Catalog: BLP-007561
CAS: 1391053-52-3
Molecular Formula: C14[13C]2H13[15N]O4S
Molecular Weight: 318.32

Chemical Structure

Description	Valdecoxib Sulfonic Acid-[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)benzenesulfonic Acid-13C2,15N; Valdecoxib Impurity D-13C2,15N
IUPAC Name	4-(5-(1-13C)methyl-3-phenyl-(5-13C,2-15N)1,2-oxazol-4-yl)benzenesulfonic acid
Related CAS	181696-35-5 (unlabelled)
Canonical SMILES	CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)O
InChI	InChI=1S/C16H13NO4S/c1-11-15(12-7-9-14(10-8-12)22(18,19)20)16(17-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H,18,19,20)/i1+1,11+1,17+1
InChI Key	LLWOSCPRJRUVST-DBSSFUHWSA-N