| SpectraBase Spectrum ID |
3trCua2C4e |
| Name |
Cetirizine ME @ |
| Classification |
Antihistamine |
| Copyright |
Copyright © 2023-2024 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 |
| SMILES |
c1ccc(C(N2CCN(CCOCC(=O)OC)CC2)c2ccc(Cl)cc2)cc1 |
| SPLASH |
splash10-1000-6790000000-54e68dbf1dd7f0a01200 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Sample Preparation Procedure |
Detected: G PME UME U+UHYAC |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Synonyms |
Hydroxyzine-M (HOOC-) ME |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_4323 |
