| SpectraBase Spectrum ID |
8Mr3xmOyqEj |
| Name |
Cetirizine ME |
| CAS Registry Number |
83881-46-3 |
| Classification |
Pharmaceutical drug, antihistaminic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
402.171020434 u |
| Formula |
C22H27ClN2O3 |
| InChI |
InChI=1S/C22H27ClN2O3/c1-27-21(26)17-28-16-15-24-11-13-25(14-12-24)22(18-5-3-2-4-6-18)19-7-9-20(23)10-8-19/h2-10,22H,11-17H2,1H3 |
| InChIKey |
BYCHNMFDSQCCDD-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
402.922 g/mol |
| Nominal Mass |
402 u |
| Quality |
964 |
| Retention Index |
3064 |
| SMILES |
C(N1CCN(CC1)CCOCC(OC)=O)(C=1C=CC(=CC1)Cl)C1=CC=CC=C1 |
| SPLASH |
splash10-0udi-4790000000-daacbcafbed86cbfa06a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-[4-(4-Chlorobenzhydryl)-1-piperazinyl]ethoxyacetic acid methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_000495 |
