1-Oxo Ibuprofen

• CAT Number: R010462
• CAS Number: 65813-55-0
• Molecular Formula: C13H16O3
• Molecular Weight: 220.268
• Purity: ≥95%
• Synonyms: α-Methyl-4-(2-methyl-1-oxopropyl)benzeneacetic Acid;?2-(4-Isobutyrylphenyl)propionic Acid; Ibuprofen Impurity J
• Target: Drug Metabolite
• Storage: 2°C to 8°C
• IUPAC Name: 2-[4-(2-methylpropanoyl)phenyl]propanoic acid
• InChI: 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)
• InChIKey: RCINGEKPKJQCMO-UHFFFAOYSA-N
• SMILES: CC(C)C(=O)C1=CC=C(C=C1)C(C)C(=O)O

1-oxo Ibuprofen is a degradation product and potential impurity in commercial preparations of ibuprofen. Ibuprofen (Item No. 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.