The Drug Ontology

Last uploaded: March 3, 2024
Preferred Name

Cetirizine

Synonyms

(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid

cetirizinum

Cetirizin

cetirizina

cetirizine

Definitions

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.

ID

http://purl.obolibrary.org/obo/CHEBI_3561

charge

0

database_cross_reference

Reaxys:7227333

Wikipedia:Cetirizine

PMID:20455340

CAS:83881-51-0

KEGG:C07778

PMID:8103703

PMID:15850951

KEGG:D07662

LINCS:LSM-1544

DrugBank:DB00341

HMDB:HMDB0005032

Drug_Central:581

definition

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.

formula

C21H25ClN2O3

has role

http://purl.obolibrary.org/obo/CHEBI_37955

http://purl.obolibrary.org/obo/CHEBI_35703

http://purl.obolibrary.org/obo/CHEBI_78298

http://purl.obolibrary.org/obo/CHEBI_50857

has_exact_synonym

(2-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid

has_obo_namespace

chebi_ontology

has_related_synonym

cetirizinum

Cetirizin

cetirizina

cetirizine

has_RxCUI

20610

id

CHEBI:3561

in_subset

http://purl.obolibrary.org/obo/chebi#3_STAR

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

label

Cetirizine

cetirizine

mass

388.88800

monoisotopicmass

388.15537

notation

CHEBI:3561

prefLabel

Cetirizine

smiles

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

subClassOf

http://purl.obolibrary.org/obo/CHEBI_83403

http://purl.obolibrary.org/obo/CHEBI_25698

http://purl.obolibrary.org/obo/CHEBI_25384

http://purl.obolibrary.org/obo/CHEBI_26144

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http://purl.obolibrary.org/obo/CHEBI_3561 PDRO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3561 FIDEO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3561 DINTO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3561 BERO SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3561 BIOMODELS SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3561 CHEBI SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3561 NIFSTD SAME_URI
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D017332 RH-MESH LOOM
http://purl.bioontology.org/ontology/RXNORM/20610 RXNORM LOOM
http://www.phoc.org.cn/pmo/class/PMO_00018269 PMAPP-PMO LOOM
https://go.drugbank.com/drugs/DB00341 MDM LOOM
http://purl.bioontology.org/ontology/NDDF/003803 NDDF LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#13713 OCHV LOOM
http://purl.obolibrary.org/obo/MESH_D017332 BERO LOOM
http://purl.obolibrary.org/obo/OMIT_0017707 OMIT LOOM
http://purl.bioontology.org/ontology/ATC/R06AE07 ATC LOOM
http://stirdf.jst.go.jp/id/200907092486425670 IOBC LOOM
http://purl.bioontology.org/ontology/MESH/D017332 MESH LOOM
http://purl.jp/bio/4/id/200906083574722143 IOBC LOOM
http://www.drugbank.ca/drugs/DB00341 FTC LOOM
http://purl.obolibrary.org/obo/CHEBI_3561 PDRO LOOM
http://purl.obolibrary.org/obo/CHEBI_3561 FIDEO LOOM
http://purl.obolibrary.org/obo/CHEBI_3561 DINTO LOOM
http://purl.obolibrary.org/obo/CHEBI_3561 BERO LOOM
http://purl.obolibrary.org/obo/CHEBI_3561 BIOMODELS LOOM
http://purl.obolibrary.org/obo/CHEBI_3561 CHEBI LOOM
http://purl.obolibrary.org/obo/CHEBI_3561 NIFSTD LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0055147 OCHV LOOM
http://purl.bioontology.org/ontology/ATC/S01GX12 ATC LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000022010 NDFRT LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/372523007 SNOMEDCT LOOM
http://purl.obolibrary.org/obo/NCIT_C1042 BERO LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C1042 NCIT LOOM
http://phenomebrowser.net/ontologies/mesh/mesh.owl#D03.383.606.515.200 RH-MESH LOOM
http://purl.bioontology.org/ontology/PDQ/CDR0000041800 PDQ LOOM
https://github.com/sap218/coid/blob/master/coid.owl#COID_00735 COID LOOM
http://www.limics.fr/ontologies/ontoparonmed#Zyrtex ONTOPARON LOOM
http://purl.bioontology.org/ontology/VANDF/4024005 VANDF LOOM
http://purl.bioontology.org/ontology/RCD/x01Dq RCD LOOM