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Cetirizine dihydrochloride

View entire compound with spectra: 2 FTIR, and 1 Raman

Cetirizine dihydrochloride
SpectraBase Compound ID 3RqqfSQgkMA
InChI InChI=1S/C21H25ClN2O3.2ClH/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);2*1H
InChIKey PGLIUCLTXOYQMV-UHFFFAOYSA-N
Mol Weight 461.82 g/mol
Molecular Formula C21H27Cl3N2O3
Exact Mass 460.108726 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID fcwWVTecV7
Name Cetirizine dihydrochloride
Source of Sample Sigma-Aldrich Company LLC
Catalog Number C3618
Lot Number 100M4726
Apodization Function Triangular
CAS Registry Number 83881-52-1
Copyright Copyright © 2012-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27Cl3N2O3
InChI InChI=1S/C21H25ClN2O3.2ClH/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);2*1H
InChIKey PGLIUCLTXOYQMV-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES OC(COCCN1CCN(C(c2ccc(cc2)Cl)c2ccccc2)CC1)=O.Cl.Cl
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms Cetirizine diHCl
Technique KBr0