OntologiesslmclassesCHEBI:3561   
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cetirizineImported
http://purl.obolibrary.org/obo/CHEBI_3561

A member of the class of piperazines that is piperazine in which the hydrogens attached to nitrogen are replaced by a (4-chlorophenyl)(phenyl)methyl and a 2-(carboxymethoxy)ethyl group respectively.

Defined bychebi
Also appears inectofideodron
Exact Synonyms
(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid
Related Synonyms
Cetirizin
cetirizina
cetirizine
cetirizinum
class Information
charge

0

formula

C21H25ClN2O3

has_obo_namespace

chebi_ontology

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

in_subset

3_STAR

mass

388.88800

monoisotopicmass

388.15537

smiles

OC(=O)COCCN1CCN(CC1)C(c1ccccc1)c1ccc(Cl)cc1

class Relations