Biological and Environmental Research Ontology

Last uploaded: December 23, 2022

Preferred Name	Cetirizine hydrochloride
Synonyms	Zyrtec (TN) Cetirizine hydrochloride
ID	http://purl.obolibrary.org/obo/CHEBI_3562
alternative term	Zyrtec (TN) Cetirizine hydrochloride
charge	0
database_cross_reference	CAS:83881-52-1 KEGG:D00664
formula	C21H25ClN2O3.2HCl C21H27Cl3N2O3
has_exact_synonym	Cetirizine hydrochloride
has_obo_namespace	chebi_ontology
has_related_synonym	Zyrtec (TN)
id	CHEBI:3562
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
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
label	Cetirizine hydrochloride
mass	461.810
monoisotopicmass	460.10873
notation	CHEBI:3562
prefLabel	Cetirizine hydrochloride
smiles	C1=C(C=CC(=C1)C(C=2C=CC=CC2)N3CCN(CC3)CCOCC(O)=O)Cl.Cl.Cl
subClassOf	http://purl.obolibrary.org/obo/CHEBI_51614

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_3562	CHEBI	SAME_URI
http://purl.obolibrary.org/obo/CHEBI_3562	CHEBI	LOOM
http://purl.jp/bio/4/id/200906063400947161	IOBC	LOOM
http://sbmi.uth.tmc.edu/ontology/ochv#C0700480	OCHV	LOOM
http://purl.bioontology.org/ontology/VANDF/4020943	VANDF	LOOM
http://purl.bioontology.org/ontology/NDFRT/N0000148423	NDFRT	LOOM
http://stirdf.jst.go.jp/id/200907022920833156	IOBC	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/108656004	SNOMEDCT	LOOM
http://purl.bioontology.org/ontology/RXNORM/203150	RXNORM	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C28920	NCIT	LOOM
http://www.co-ode.org/ontologies/galen#CetirizineHydrochloride	GALEN	LOOM