CHEBI:3614 - chlorhexidine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name chlorhexidine
ChEBI ID CHEBI:3614
Definition A bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C22H30Cl2N10
Net Charge 0
Average Mass 505.44700
Monoisotopic Mass 504.203
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
SMILES Clc1ccc(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)Nc2ccc(Cl)cc2)cc1
Roles Classification
Biological Role(s): antibacterial agent
A substance that kills or slows the growth of bacteria.
Application(s): antiinfective agent
A substance used in the prophylaxis or therapy of infectious diseases.
hypoglycemic agent
A drug which lowers the blood glucose level.
(via biguanides )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing chlorhexidine (CHEBI:3614) has functional parent biguanide (CHEBI:3095)
chlorhexidine (CHEBI:3614) has role antibacterial agent (CHEBI:33282)
chlorhexidine (CHEBI:3614) has role antiinfective agent (CHEBI:35441)
chlorhexidine (CHEBI:3614) is a biguanides (CHEBI:53662)
chlorhexidine (CHEBI:3614) is a monochlorobenzenes (CHEBI:83403)
Incoming chlorhexidine gluconate (CHEBI:28312) has functional parent chlorhexidine (CHEBI:3614)
IUPAC Name
N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)]
Synonyms Sources
1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) ChemIDplus
Chlorhexidine KEGG COMPOUND
N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide ChemIDplus
Manual Xrefs Databases
1779 VSDB
597 DrugCentral
C06902 KEGG COMPOUND
Chlorhexidine Wikipedia
D07668 KEGG DRUG
DB00878 DrugBank
LSM-5633 LINCS
View more database links
Registry Numbers Types Sources
2826432 Beilstein Registry Number Beilstein
2826432 Reaxys Registry Number Reaxys
55-56-1 CAS Registry Number KEGG COMPOUND
55-56-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10848923 PubMed citation Europe PMC
11564456 PubMed citation Europe PMC
16238008 PubMed citation Europe PMC
17602516 PubMed citation Europe PMC
24384684 PubMed citation Europe PMC
Last Modified
22 February 2017