| SpectraBase Spectrum ID |
AMCkPJv9Nqs |
| Name |
Cetirizine |
| Source of Sample |
Sigma-Aldrich Company Llc |
| Catalog Number |
Free base of C3618 |
| Lot Number |
Free base of 100M4726V |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
83881-51-0 |
| Classification |
a second-generation antihistamine, a major metabolite of hydroxyzine, and a racemic selective H1 receptor inverse agonist used in the treatment of allergies, hay fever, angioedema, and urticaria. |
| Copyright |
Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
| Instrument Name |
Bio-Rad FTS |
| Sample Preparation Procedure |
The HCl salt was dissolved in 0.5 ml water in a test tube, and 1 drop of 30% NaOH solution was added, causing the clear solution to turn cloudy white. 1 ml dichloromethane was added to the test tube, which was shaken thoroughly using a vortex mixer. The test tube was spun in a centrifuge to separate the organic and aqueous layers. The bottom organic layer was retrieved with a pipette and placed in another clean test tube. Most of the solvent was evaporated from the tube using a flow of nitrogen gas, and the remaining solution was used to create a film on the diamond window for ATR-IR. |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid |
| Technique |
ATR-Film (MeCl2) (DuraSamplIR II) |
