For research use only. Not for therapeutic Use.
Rofecoxib-d₅（Cat No.:R013107）is a deuterated analog of rofecoxib, a selective cyclooxygenase-2 (COX-2) inhibitor used for studying inflammation, pain, and related conditions. In this labeled form, five hydrogen atoms are replaced with deuterium, making it an ideal internal standard for LC-MS/MS applications in pharmacokinetic and metabolic research. Rofecoxib-d₅ retains the COX-2 selectivity of the parent compound and is used to enhance accuracy in quantifying rofecoxib levels in biological samples. It is intended strictly for research and analytical purposes; not for use in humans or animals for therapeutic or diagnostic applications.
| CAS Number | 544684-93-7 |
| Synonyms | 3-(4-methylsulfonylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2H-furan-5-one |
| Molecular Formula | C17H9D5O4S |
| Purity | ≥95% |
| IUPAC Name | 3-(4-methylsulfonylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)-2H-furan-5-one |
| InChI | InChI=1S/C17H14O4S/c1-22(19,20)14-9-7-12(8-10-14)15-11-21-17(18)16(15)13-5-3-2-4-6-13/h2-10H,11H2,1H3/i2D,3D,4D,5D,6D |
| InChIKey | RZJQGNCSTQAWON-VIQYUKPQSA-N |
| SMILES | [2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(COC2=O)C3=CC=C(C=C3)S(=O)(=O)C)[2H])[2H] |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
