CHEBI:3020 - benzalkonium chloride

ChEBI IDCHEBI:3020
ChEBI Namebenzalkonium chloride
Stars
DefinitionA class of quaternary ammonium chloride salts in which the nitrogen is substituted by a benzyl group, two methyl groups and an even-numbered alkyl chain.
Last Modified3 August 2014
DownloadsMolfile
FormulaC9H13ClNR
Net Charge0
Average Mass (excl. R groups)170.659
Monoisotopic Mass (excl. R groups)170.07365
SMILES*[N+](C)(C)Cc1ccccc1.[Cl-]
Roles Classification
Chemical Roles:
surfactant  A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces.
detergent  A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
Biological Roles:
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
disinfectant  An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.
Applications:
antiseptic drug  A substance used locally on humans and other animals to destroy harmful microorganisms or to inhibit their activity (cf. disinfectants, which destroy microorganisms found on non-living objects, and antibiotics, which can be transported through the lymphatic system to destroy bacteria within the body).
detergent  A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
ChEBI Ontology
Outgoing Relation(s)
benzalkonium chloride (CHEBI:3020) has role antibacterial agent (CHEBI:33282)
benzalkonium chloride (CHEBI:3020) has role antiseptic drug (CHEBI:48218)
benzalkonium chloride (CHEBI:3020) has role detergent (CHEBI:27780)
benzalkonium chloride (CHEBI:3020) has role disinfectant (CHEBI:48219)
benzalkonium chloride (CHEBI:3020) has role surfactant (CHEBI:35195)
benzalkonium chloride (CHEBI:3020) is a organic chloride salt (CHEBI:36094)
benzalkonium chloride (CHEBI:3020) is a quaternary ammonium salt (CHEBI:35273)
INNs  Source
benzalkonium chlorideKEGG DRUG
benzalkonii chloridumChemIDplus
chlorure de benzalkoniumChemIDplus
cloruro de benzalconioChemIDplus
Synonyms  Source
Benzalkonium chlorideKEGG COMPOUND
Alkyl dimethylbenzyl ammonium chlorideChemIDplus
Alkylbenzyldimethylammonium chlorideChemIDplus
Alkyldimethyl(phenylmethyl)quaternary ammonium chloridesChemIDplus
Alkyldimethylbenzylammonium chlorideChemIDplus
benzalkonium chloridesChEBI
Manual XrefsDatabases
C08037KEGG COMPOUND
D00857KEGG DRUG
Registry NumbersSources
CAS:8001-54-5ChemIDplus
Citations