Ibuprofen EP Impurity J
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65813-55-0Ibuprofen EP Impurity J

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Catalogue No.:VL81003
CAS No.:65813-55-0
Mol. Formula:C13H16O3
Mol. Weight:220.26 g/mol

Additional information on CAS 65813-55-0

Parent drug

Ibuprofen

IUPAC Name

(2RS)-2-[4-(2-Methylpropanoyl)phenyl]propanoic acid

Pharmacopeial Synonyms

Ibuprofen Related Compound J; Ibuprofen BP Impurity J

Synonyms

Oxo Ibuprofen; 2-(4-Isobutyrylphenyl)propionic Acid; 1-Oxo Ibuprofen; 2-(4-Isobutyrylphenyl)propionic Acid; (+/-)-2-(4-(2-Methylpropanoyl)phenyl)propanoic acid; Benzeneacetic acid, alpha-methyl-4-(2-methyl-1-oxopropyl)-; alpha-Methyl-4-(2-methyl-1-oxopropyl)benzeneacetic Acid

Smiles

CC(C1=CC=C(C(C(C)C)=O)C=C1)C(O)=O

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)

Shipping Condition

Ambient Temperature

Description

Ibuprofen EP Impurity J, also designated Ibuprofen Related Compound J and Ibuprofen BP Impurity J, corresponds to 1-Oxo Ibuprofen, a ketone oxidation product of the arylpropionic acid NSAID scaffold. CAS 65813-55-0 identifies the free acid form, with molecular formula C13H16O3 and molecular weight 220.26 g/mol. The impurity may arise through oxidative degradation or metabolic carbonyl formation at the side chain, rather than from a nitrosamine pathway. Structural assignment and low-level quantification generally require LC-MS/MS or high-resolution LC-MS, with confirmatory NMR and, where needed, GC-MS after derivatization. It is relevant to pharmacopeial impurity profiling and stability studies.

References

YongFang Rao, Dan Xue, Huaimin Pan, Jiangtao Feng, Yingjie Li Container: Chemical Engineering Journal Year: 2016 Volume: 283 DOI: 10.1016/j.cej.2015.07.057 URL: https://www.sciencedirect.com/science/article/abs/pii/S1385894715010232

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