1076199-80-8Cetirizine N-Oxide

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Catalogue No.:	VL330008
CAS No.:	1076199-80-8
Mol. Formula:	C21H25ClN2O4
Mol. Weight:	404.89 g/mol

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Additional information on CAS 1076199-80-8

Parent drug

Cetirizine

IUPAC Name

2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]acetic acid

Pharmacopoeial Synonyms

N/A

Other Synonyms

2-[2-[4-[(4-chlorophenyl)-phenylmethyl]-1-oxidopiperazin-1-ium-1-yl]ethoxy]acetic acid; 1-(2-(carboxymethoxy)ethyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine1-oxide

Smile

[O-][N+]1(CCOCC(O)=O)CCN(C(C2=CC=C(Cl)C=C2)C3=CC=CC=C3)CC1

InChI

InChI=1S/C21H25ClN2O4/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)23-10-12-24(27,13-11-23)14-15-28-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)

Description

Cetirizine N-Oxide, CAS 1076199-80-8, is a defined oxidative impurity of the piperazine antihistamine cetirizine, arising from N-oxidation of the tertiary amine nitrogen during manufacture, storage, or stressed degradation. With molecular formula C21H25ClN2O4 and molecular weight 404.89 g/mol, it is a polar, heteroatom-rich species whose chromatographic behavior and mass spectral response differ from the parent drug. Characterization generally requires LC-MS/MS or high-resolution LC-MS, often with ion-pair or HILIC separations, and orthogonal confirmation by NMR when needed. Its occurrence is evaluated within impurity profiling frameworks, including degradant control and structure elucidation of related substances.