CHEBI:81711 - chlorhexidine acetate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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.
Supplier Information
Download Molfile XML SDF
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 Waiting for 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