| SpectraBase Spectrum ID |
DnU1pWqB0Fs |
| Name |
Cetirizine |
| CAS Registry Number |
83881-51-0 |
| Classification |
Pharmaceutical drug, antihistaminic |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
388.155370370 u |
| Formula |
C21H25ClN2O3 |
| InChI |
InChI=1S/C21H25ClN2O3/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)24-12-10-23(11-13-24)14-15-27-16-20(25)26/h1-9,21H,10-16H2,(H,25,26) |
| InChIKey |
ZKLPARSLTMPFCP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
388.895 g/mol |
| Nominal Mass |
388 u |
| Quality |
918 |
| SMILES |
OC(COCCN1CCN(C(C=2C=CC(=CC2)Cl)C=2C=CC=CC2)CC1)=O |
| SPLASH |
splash10-0uxu-2691000000-083fa6eed03b12b93f98 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Acetic acid,2-[2-[4-[(4-chlorophenyl)phenyl-methyl]piperazin-1-yl]ethoxy]
2-[2-[4-[(4-Chlorophenyl)phenyl-methyl]piperazin-1-yl]ethoxy]acetic acid |
| Technique |
DI/MS |
| Wiley ID |
DD2024_000493 |
