5-Oxo Atorvastatin, CAS 1391052-82-6, is an oxidative impurity of the statin scaffold characterized by ketone formation at the 5-position of the pyrrole-based heptanoic acid side chain. Its molecular formula, C33H33FN2O5, corresponds to a molecular weight of 556.62 g/mol, consistent with a monooxygenated derivative of atorvastatin. Formation is typically associated with oxidative degradation during synthesis, storage, or stress exposure, rather than as a deliberate intermediate. Structural elucidation and trace-level quantification generally require LC-MS/MS, HRMS, and stability-indicating HPLC methods, with NMR used for definitive assignment. It is relevant to impurity profiling under pharmacopoeial and ICH Q3A/Q3B frameworks.
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