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> Main
CHEBI:3614 - chlorhexidine
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ChEBI Ontology
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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.
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Read full article at Wikipedia
Formula
C22H30Cl2N10
Net Charge
0
Average Mass
505.44700
Monoisotopic Mass
504.20320
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 (or active part thereof) 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
)
chlorhexidine acetate (
CHEBI:81711
)
has part
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
Reaxys Registry Number
Reaxys
2826432
Beilstein Registry Number
Beilstein
55-56-1
CAS Registry Number
ChemIDplus
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
33786648
PubMed citation
Europe PMC
33805369
PubMed citation
Europe PMC
33850179
PubMed citation
Europe PMC
33863402
PubMed citation
Europe PMC
Last Modified
22 April 2021