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CHEBI:3562 - Cetirizine hydrochloride

ChEBI IDCHEBI:3562
ChEBI NameCetirizine hydrochloride
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC21H25ClN2O3.2HCl
Net Charge0
Average Mass461.817
Monoisotopic Mass460.10873
SMILESCl.Cl.O=C(O)COCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=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
InChIKeyPGLIUCLTXOYQMV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Cetirizine hydrochloride (CHEBI:3562) is a diarylmethane (CHEBI:51614)
Synonyms  Source
Cetirizine hydrochlorideKEGG COMPOUND
Zyrtec (TN)KEGG COMPOUND
Manual XrefsDatabases
D00664KEGG DRUG
Registry NumbersSources
CAS:83881-52-1KEGG COMPOUND