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> Main
CHEBI:81711 - chlorhexidine acetate
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ChEBI Ontology
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ChEBI Name
chlorhexidine acetate
ChEBI ID
CHEBI:81711
Definition
The acetate salt of chlorhexidine. It is a disinfectant used for bacterial control in hospital, agricultural and domestic environments.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C22H30Cl2N10.C2H4O2.C2H4O2
Net Charge
0
Average Mass
625.560
Monoisotopic Mass
624.24546
InChI
InChI=1S/C22H30Cl2N10.2C2H4O2/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;2*1-
2(3)
4/h5-
12H,1-
4,13-
14H2,(H5,25,27,29,31,33)
(H5,26,28,30,32,34)
;2*1H3,(H,3,4)
InChIKey
WDRFFJWBUDTUCA-UHFFFAOYSA-N
SMILES
CC(O)=O.CC(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1
Roles Classification
Biological Role
(s):
antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Application
(s):
antiinfective agent
A substance used in the prophylaxis or therapy of infectious diseases.
antifouling biocide
A compound that inhibits the growth of marine organisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
chlorhexidine acetate (
CHEBI:81711
)
has part
chlorhexidine (
CHEBI:3614
)
chlorhexidine acetate (
CHEBI:81711
)
has role
antibacterial agent (
CHEBI:33282
)
chlorhexidine acetate (
CHEBI:81711
)
has role
antifouling biocide (
CHEBI:51076
)
chlorhexidine acetate (
CHEBI:81711
)
has role
antifungal agent (
CHEBI:35718
)
chlorhexidine acetate (
CHEBI:81711
)
has role
antiinfective agent (
CHEBI:35441
)
chlorhexidine acetate (
CHEBI:81711
)
is a
acetate salt (
CHEBI:59230
)
IUPAC Name
N
,
N
''''-
hexane-
1,6-
diylbis[
N
'-
(4-
chlorophenyl)triimidodicarbonic diamide] acetate (1:2)
Synonyms
Sources
1,1'-hexamethylene bis(5-(
p
-chlorophenyl)biguanide) diacetate
ChemIDplus
acetic acid-
-
N
,
N
''''-
hexane-
1,6-
diylbis[
N
'-
(4-
chlorophenyl)triimidodicarbonic diamide] (2/1)
IUPAC
chlorhexidine di(acetate)
ChEBI
chlorhexidine diacetate
KEGG COMPOUND
chlorhexidine diacetate salt
ChEBI
Brand Name
Source
Nolvasan
KEGG DRUG
Manual Xrefs
Databases
7838272
ChemSpider
C18372
KEGG COMPOUND
D07669
KEGG DRUG
DBSALT001123
DrugBank
EP2376129
Patent
WO2012033625
Patent
View more database links
Registry Number
Type
Source
56-95-1
CAS Registry Number
ChemIDplus
Citations
Types
Sources
19924977
PubMed citation
Europe PMC
22058347
PubMed citation
Europe PMC
22563792
PubMed citation
Europe PMC
24815823
PubMed citation
Europe PMC
28012407
PubMed citation
Europe PMC
28468901
PubMed citation
Europe PMC
28575994
PubMed citation
Europe PMC
28691453
PubMed citation
Europe PMC
28727160
PubMed citation
Europe PMC
29178741
PubMed citation
Europe PMC
29333932
PubMed citation
Europe PMC
29406548
PubMed citation
Europe PMC
29550230
PubMed citation
Europe PMC
29925728
PubMed citation
Europe PMC
30612797
PubMed citation
Europe PMC
31686873
PubMed citation
Europe PMC
31775557
PubMed citation
Europe PMC
31939520
PubMed citation
Europe PMC
32412890
PubMed citation
Europe PMC
33071503
PubMed citation
Europe PMC
33656098
PubMed citation
Europe PMC
Last Modified
22 April 2021