Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025

Preferred Name	Chlorhexidine hydrochloride
Synonyms	Chlorhexidine hydrochloride
ID	http://purl.obolibrary.org/obo/CHEBI_31393
charge	0
database_cross_reference	KEGG:D01345 CAS:3697-42-5
formula	C22H30Cl2N10.2HCl C22H32Cl4N10
has_exact_synonym	Chlorhexidine hydrochloride
has_obo_namespace	chebi_ontology
id	CHEBI:31393
in_subset	http://purl.obolibrary.org/obo/chebi#2_STAR
inchi	InChI=1S/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H
inchikey	WJLVQTJZDCGNJN-UHFFFAOYSA-N
label	Chlorhexidine hydrochloride
mass	578.369
monoisotopicmass	576.15655
notation	CHEBI:31393
prefLabel	Chlorhexidine hydrochloride
smiles	C1(NC(NC(NCCCCCCNC(NC(NC2=CC=C(Cl)C=C2)=N)=N)=N)=N)=CC=C(Cl)C=C1.Cl.Cl
treeView	http://purl.obolibrary.org/obo/CHEBI_24436
subClassOf	http://purl.obolibrary.org/obo/CHEBI_24436

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Mapping To	Ontology	Source
http://purl.obolibrary.org/obo/CHEBI_31393	BERO	SAME_URI
http://www.co-ode.org/ontologies/galen#ChlorhexidineHydrochloride	GALEN	LOOM
http://ncicb.nci.nih.gov/xml/owl/EVS/Thesaurus.owl#C65314	NCIT	LOOM
http://purl.bioontology.org/ontology/RXNORM/2361	RXNORM	LOOM
http://purl.bioontology.org/ontology/SNMI/C-90252	SNMI	LOOM
http://stirdf.jst.go.jp/id/200907031545288020	IOBC	LOOM
http://purl.jp/bio/4/id/200906039614316497	IOBC	LOOM
http://purl.obolibrary.org/obo/NCIT_C65314	BERO	LOOM
http://purl.bioontology.org/ontology/SNOMEDCT/96318003	SNOMEDCT	LOOM
http://purl.obolibrary.org/obo/CHEBI_31393	BERO	LOOM