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N-De(4-sulfonamidophenyl)-N'-(4-sulfonamidophenyl) Celecoxib-[d4]

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General Information
Catalog: BLP-006302
CAS: 1346604-14-5
Molecular Formula: C17H10D4F3N3O2S
Molecular Weight: 385.40

Chemical Structure

Description	N-De(4-sulfonamidophenyl)-N'-(4-sulfonamidophenyl) Celecoxib-[d4] is the labelled analogue of N-De(4-sulfonamidophenyl)-N'-(4-sulfonamidophenyl) Celecoxib, which is an isomeric impurity of Celecoxib with selective inhibitory activity against human cyclooxygenase-2.
Synonyms	N-De(4-sulfonamidophenyl)-N'-[4-sulfonamido(phenyl-d4)] Celecoxib; 4-[3-(4-Methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl](benzene-d4)sulfonamide; Celecoxib EP Impurity B-d4
IUPAC Name	2,3,5,6-tetradeuterio-4-[3-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Related CAS	331943-04-5 (unlabelled)
Canonical SMILES	CC1=CC=C(C=C1)C2=NN(C(=C2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)N
InChI	InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)23(22-15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)/i6D,7D,8D,9D
InChI Key	LGIMTMFJBCXYRP-YKVCKAMESA-N
Purity	>95%
Solubility	Slightly soluble in Methanol
Appearance	Off-white to Brown Solid
Storage	Store at 2-8°C