Phenylbutazone-13C12

• CAT Number: S000525
• CAS Number: 1325559-13-4
• Molecular Formula: C713C12H20N2O2
• Molecular Weight: 320.29
• Purity: ≥95%
• IUPAC Name: 4-butyl-1,2-di((1,2,3,4,5,6-13C6)cyclohexatrienyl)pyrazolidine-3,5-dione
• InChI: InChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3/i4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,15+1,16+1
• InChIKey: VYMDGNCVAMGZFE-ZDLJAUBWSA-N
• SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3

Phenylbutazone-13C12（Cat No.:S000525） is an isotopically labeled version of phenylbutazone, where all twelve carbon atoms are replaced with the carbon-13 (13C) isotope. Phenylbutazone is a nonsteroidal anti-inflammatory drug (NSAID) originally used to treat pain and inflammation in horses, and also previously in humans for conditions like rheumatoid arthritis and gout. The incorporation of carbon-13 enhances the molecule’s traceability and stability, making it useful for metabolic and pharmacokinetic studies. These studies help researchers understand the drug’s metabolism and distribution in biological systems, crucial for optimizing therapeutic efficacy and reducing adverse effects.