Celecoxib-d7

CAS: 544686-21-7

Ref. TR-C251004

Product Information

• Name: Celecoxib-d7
• Synonyms: 4-?[5-?[4-?(Methyl-?d3)?phenyl-?2,?3,?5,?6-?d4]?-?3-?(trifluoromethyl)?-?1H-?pyrazol-?1-?yl]?-benzenesulfonamide, Celebra-d7, Celecox-d7, Celebrex-d7, SC 58635-d7, YM 177-d7

Description

Applications Celecoxib-d7 is the labeled analogue of Celecoxib (C251000), a selective cyclooxygenase-2 (COX-2) inhibitor. Anti-inflammatory. Used in 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)

• Brand: TRC

Chemical properties

• Molecular weight: 388.42
• Formula: C₁₇H₇D₇F₃N₃O₂S
• Color/Form: White
• 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)/i1D3,2D,3D,4D,5D
• InChI key: InChIKey=RZEKVGVHFLEQIL-AAYPNNLASA-N
• SMILES: [2H]c1c([2H])c(C([2H])([2H])[2H])c([2H])c([2H])c1-c1cc(C(F)(F)F)nn1-c1ccc(S(N)(=O)=O)cc1