1-oxo Ibuprofen

1-oxo Ibuprofen is a degradation product and potential impurity in commercial preparations of ibuprofen. Ibuprofen (Cay-70280) is a non-selective, reversible COX inhibitor and non-steroidal anti-inflammatory drug (NSAID). Formulations containing ibuprofen are widely used for inflammation, pain, and fever. However, it is considered, among other pharmaceuticals, an environmental contaminant because it cannot be completey biodegraded during the wastewater treatment process. Degradation using ultraviolet light, Fe(III), and peroxymonosulfate has been described and results in degradation products, including 1-oxo ibuprofen.Formal Name: alpha-methyl-4-(2-methyl-1-oxopropyl)-benzeneacetic acid. CAS Number: 65813-55-0. Synonyms: Ibuprofen Impurity J. Molecular Formula: C13H16O3. Formula Weight: 220.3. Purity: >98%. Formulation: (Request formulation change), A solid. Solubility: Chloroform: soluble. SMILES: CC(C(O)=O)C1=CC=C(C(C(C)C)=O)C=C1. InChi Code: InChI=1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16). InChi Key: RCINGEKPKJQCMO-UHFFFAOYSA-N.