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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

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID J1oCtMJ5bC7
Name Cetirizine dihydrochloride
Source of Sample Sigma-Aldrich Company Llc
Catalog Number C3618
Lot Number 100M4726V
Accessory DurasamplIR II
CAS Registry Number 83881-52-1
Classification an antihistamine used to treat allergy symptoms and hay fever
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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
Source of Spectrum Forensic Spectral Research
Synonyms Zyrtec; [2-[4-[(4-Chlorophenyl)phenylmethyl]-1-piperazinyl]ethoxy]acetic acid dihydrochloride
Technique ATR-Neat (DuraSamplIR II)