Celecoxib-d4

CAS: 544686-20-6

Ref. TR-C251002

Product Information

• Name: Celecoxib-d4
• Synonyms: 4-[5-(4-Methylphenyl)-3-trifluoromethyl)-1H-pyrazol-yl]benzenesulfonamide-d4, Celebra-d4, Celecox-d4, Celocoxib-d4, SC 58635-d4, YM 177-d4, Celebrex-d4
• Brand: TRC

Description

Applications A labelled selective cyclooxygenase-2 (COX-2) inhibitor. Anti-inflammatory. Used in the treatment of familial adenomatous polyposis.
Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package
References Simon, L.S., et al.: Arthritis Rheum., 41, 1591 (1998), Silverstein, F.E., et al.: J. Am. Med. Assoc., 284, 1247 (2000), Steinbach, G., et al.: N. Engl. J. Med., 342, 1946 (2000),

Chemical properties

• Molecular weight: 385.4
• Formula: C₁₇H₁₀D₄F₃N₃O₂S
• Color/Form: Neat
• 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: InChIKey=RZEKVGVHFLEQIL-YKVCKAMESA-N
• SMILES: [2H]c1c([2H])c(S(N)(=O)=O)c([2H])c([2H])c1-n1nc(C(F)(F)F)cc1-c1ccc(C)cc1