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CHEBI:81711 - chlorhexidine acetate

ChEBI IDCHEBI:81711
ChEBI Namechlorhexidine acetate
Stars
DefinitionThe acetate salt of chlorhexidine. It is a disinfectant used for bacterial control in hospital, agricultural and domestic environments.
Last Modified22 April 2021
DownloadsMolfile
FormulaC22H30Cl2N10.2C2H4O2
Net Charge0
Average Mass625.562
Monoisotopic Mass624.24546
SMILESCC(=O)O.CC(=O)O.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1
InChIInChI=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)
InChIKeyWDRFFJWBUDTUCA-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
Applications:
antifouling biocide  A compound that inhibits the growth of marine organisms.
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
ChEBI Ontology
Outgoing Relation(s)
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  Source
chlorhexidine diacetateKEGG COMPOUND
acetic acid--N,N''''-hexane-1,6-diylbis[N'-(4-chlorophenyl)triimidodicarbonic diamide] (2/1)IUPAC
chlorhexidine diacetate saltChEBI
chlorhexidine di(acetate)ChEBI
1,1'-hexamethylene bis(5-(p-chlorophenyl)biguanide) diacetateChemIDplus
Brand Name  Source
NolvasanKEGG DRUG
Manual XrefsDatabases
D07669KEGG DRUG
C18372KEGG COMPOUND
DBSALT001123DrugBank
7838272ChemSpider
EP2376129Patent
WO2012033625Patent
Registry NumbersSources
CAS:56-95-1ChemIDplus
Citations