CHEBI:3562 - Cetirizine hydrochloride

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name Cetirizine hydrochloride ChEBI ID CHEBI:3562 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formulae C21H25ClN2O3.2HCl C21H27Cl3N2O3 Net Charge 0 Average Mass 461.810 Monoisotopic Mass 460.10873 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 SMILES C1=C(C=CC(=C1)C(C=2C=CC=CC2)N3CCN(CC3)CCOCC(O)=O)Cl.Cl.Cl ChEBI Ontology Outgoing Cetirizine hydrochloride (CHEBI:3562) is a diarylmethane (CHEBI:51614) Synonyms Sources Cetirizine hydrochloride KEGG COMPOUND Zyrtec (TN) KEGG COMPOUND Manual Xref Database D00664 KEGG DRUG View more database links Registry Number Type Source 83881-52-1 CAS Registry Number KEGG COMPOUND Last Modified 06 March 2017