Celecoxib-[d4]

General Information
Catalog: BLP-002202
CAS: 544686-20-6
Molecular Formula: C17H10D4F3N3O2S
Molecular Weight: 385.4
Related CAS: 169590-42-5 (unlabelled)
Description Celecoxib-[d4], is the labelled analogue of Celecoxib. Celecoxib is a COX-2 inhibitor and nonsteroidal anti-inflammatory drug.
Synonyms 4-[5-(4-Methylphenyl)-3-trifluoromethyl)-1H-pyrazol-yl]benzenesulfonamide-d4; Celecoxib D4
IUPAC Name 2,3,5,6-tetradeuterio-4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Canonical SMILES CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F
InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(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 RZEKVGVHFLEQIL-YKVCKAMESA-N
Melting Point 149-152°C
Purity 98% (CP); 95% atom D
Solubility Soluble in Chloroform, DMSO, Methanol
Appearance White to Pale Yellow Solid
Storage Store at -20°C

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