Cetirizine N-oxide

Systematic / IUPAC Name: (2-{4-[(4-Chlorophenyl)(phenyl)methyl]-1-oxido-1-piperazinyl}ethoxy)acetic acid

ID: Reference3118

Other Names: (R)-Cetirizine N-oxide;
Cetirizine N-oxide;
Acetic acid, 2-(2-{4-[(4-chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl}ethoxy)-

Formula: C21H25ClN2O4

Class: Therapeutics/Prescription Drugs Sports Doping Drugs Endogenous Metabolites

Spectral Data

Cetirizine N-oxide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 2
No. of Spectra 134
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/15/2015 12:07:44 PM
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Identificators

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)
InChI Key IVDOUUOLLFEMJQ-UHFFFAOYSA-N
Canonical SMILES C1C[N+](CCN1C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)(CCOCC(=O)O)[O-]
CAS 1076199808
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Other Names (R)-Cetirizine N-oxide;
Cetirizine N-oxide;
Acetic acid, 2-(2-{4-[(4-chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl}ethoxy)-

In Other Databases

ChemSpider 21896624
PubChem 45038602