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Celecoxib carboxylic acid-[d4]

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General Information
Catalog: BLP-002201
CAS: 1261396-12-6
Molecular Formula: C17H8D4F3N3O4S
Molecular Weight: 415.38

Chemical Structure

Description	Celecoxib carboxylic acid-[d4], is the labelled analogue of Celecoxib carboxylic acid. Celecoxib Carboxylic Acid is a metabolite of Celecoxib, a COX-2 inhibitor and nonsteroidal anti-inflammatory drug.
Synonyms	Celecoxib carboxylic acid D4
IUPAC Name	2,3,5,6-tetradeuterio-4-[2-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid
Related CAS	170571-01-4 (unlabelled)
Canonical SMILES	C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)C(=O)O
InChI	InChI=1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)/i1D,2D,3D,4D
InChI Key	WTHNOVFEXONZMI-RHQRLBAQSA-N