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4-Desmethyl-3-methyl Celecoxib-[d4]

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General Information
Catalog: BLP-002882
CAS: 1346604-72-5
Molecular Formula: C17H10D4F3N3O2S
Molecular Weight: 385.40

Chemical Structure

Description	4-Desmethyl-3-methyl Celecoxib-[d4] is the labelled analogue of 4-Desmethyl-3-methyl Celecoxib, which is a metabolite positional isomer of Celecoxib with selective inhibitory activity against human cyclooxygenase-2.
Synonyms	4-Desmethyl-3-methyl Celecoxib D4; 4-[5-(3-Methylphenyl)-3-trifluoromethyl-1H-pyrazol-1-yl](benzene-d4)sulfonamide
IUPAC Name	2,3,5,6-tetradeuterio-4-[5-(3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Related CAS	170570-01-1 (unlabelled)
Canonical SMILES	CC1=CC(=CC=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI	InChI=1S/C17H14F3N3O2S/c1-11-3-2-4-12(9-11)15-10-16(17(18,19)20)22-23(15)13-5-7-14(8-6-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)/i5D,6D,7D,8D
InChI Key	MPVPOTMPKLOUHZ-KDWZCNHSSA-N