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