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Hydroxy Celecoxib-[d4]

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General Information
Catalog: BLP-005931
CAS: 1276524-56-1
Molecular Formula: C17H10D4F3N3O3S
Molecular Weight: 401.40

Chemical Structure

Description	Hydroxy Celecoxib-[d4] is the labelled derivative of Hydroxy Celecoxib, a labelled metabolite of Celecoxib.
Synonyms	4-[5-[4-(Hydroxymethyl)phenyl]-3-(trifluoromethyl)-1H-pyrazol-1-yl](benzene-d4)sulfonamide; Hydroxy Celecoxib D4
IUPAC Name	2,3,5,6-tetradeuterio-4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Related CAS	170571-00-3 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1CO)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI	InChI=1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)/i5D,6D,7D,8D
InChI Key	ICRSYPPLGADZKA-KDWZCNHSSA-N