Aprepitant impurity 57 Dimethyl ammonium salt CAS CATO-C4X-114157

Purity 97%+In StockPharmacopoeial Impurity Standards
CAS No.CATO-C4X-114157
Molecular FormulaC23H22F7N4O6P
Molecular WeightN/A
CategoryPharmacopoeial Impurity Standards / EP Impurities
AvailabilityIn Stock

Chemical Structure

Aprepitant impurity 57 Dimethyl ammonium salt CAS CATO-C4X-114157 chemical structure

Description

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Aprepitant impurity 57 Dimethyl ammonium salt (CAS CATO-C4X-114157) is a certified pharmaceutical impurity reference standard with the molecular formula C23H22F7N4O6PC7H17NO5 and a molecular weight of 809.63 g/mol.

Structurally, Aprepitant impurity 57 Dimethyl ammonium salt (C23H22F7N4O6PC7H17NO5) contains a nitrogen-containing heterocyclic scaffold, an amide group, a phosphate ester group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.5, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 809.63 g/mol, it falls into the high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

This reference standard supports related-substances testing and method development in line with ICH Q3A/Q3B guidance on impurity control, and is suitable for system suitability testing and forced-degradation studies.

Physical & Chemical Properties

Molecular FormulaC23H22F7N4O6P 2*C7H17NO5
Molecular Weight809.63 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)10.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
Halogen ContentF-containing
Nitrogen Atoms5

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