Preferred Name

chlorhexidine

Synonyms

Chlorhexidine

N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]

N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide

1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide)

Definitions

A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.

ID

http://purl.obolibrary.org/obo/CHEBI_3614

charge

0

database_cross_reference

PMID:11564456

Beilstein:2826432

PMID:10848923

LINCS:LSM-5633

PMID:16238008

DrugBank:DB00878

Reaxys:2826432

PMID:24384684

PMID:17602516

KEGG:D07668

Drug_Central:597

Wikipedia:Chlorhexidine

KEGG:C06902

CAS:55-56-1

formula

C22H30Cl2N10

has functional parent

http://purl.obolibrary.org/obo/CHEBI_3095

has role

http://purl.obolibrary.org/obo/CHEBI_33282

http://purl.obolibrary.org/obo/CHEBI_35441

has_exact_synonym

Chlorhexidine

N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]

has_obo_namespace

chebi_ontology

has_related_synonym

N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide

1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide)

id

CHEBI:3614

in_subset

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

inchi

InChI=1S/C22H30Cl2N10/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)

inchikey

GHXZTYHSJHQHIJ-UHFFFAOYSA-N

label

chlorhexidine

mass

505.44700

monoisotopicmass

504.203

notation

CHEBI:3614

prefixIRI

CHEBI:3614

prefLabel

chlorhexidine

smiles

Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1

textual definition

A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.

subClassOf

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

http://purl.obolibrary.org/obo/CHEBI_53662

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