CHEBI:3020 - benzalkonium chloride

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzalkonium chloride
ChEBI ID CHEBI:3020
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Download Molfile XML SDF
Formula C9H13ClNR
Net Charge 0
Average Mass (excl. R groups) 170.65900
Monoisotopic Mass (excl. R groups) 170.074
SMILES [Cl-].C[N+](C)([*])Cc1ccccc1
Roles Classification
Chemical Role(s): 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 Role(s): antibacterial agent
A substance 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.
Application(s): detergent
A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
benzalkonii chloridum ChemIDplus
benzalkonium chloride KEGG DRUG
chlorure de benzalkonium ChemIDplus
cloruro de benzalconio ChemIDplus
Synonyms Sources
ADBAC ChEBI
Alkyl dimethylbenzyl ammonium chloride ChemIDplus
Alkylbenzyldimethylammonium chloride ChemIDplus
Alkyldimethyl(phenylmethyl)quaternary ammonium chlorides ChemIDplus
Alkyldimethylbenzylammonium chloride ChemIDplus
Benzalkonium chloride KEGG COMPOUND
benzalkonium chlorides ChEBI
Manual Xrefs Databases
C08037 KEGG COMPOUND
D00857 KEGG DRUG
View more database links
Registry Number Type Source
8001-54-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
17660979 PubMed citation Europe PMC
22692451 PubMed citation Europe PMC
23078159 PubMed citation Europe PMC
23102555 PubMed citation Europe PMC
23278376 PubMed citation Europe PMC
23439005 PubMed citation Europe PMC
23519403 PubMed citation Europe PMC
23542350 PubMed citation Europe PMC
23651563 PubMed citation Europe PMC
23682619 PubMed citation Europe PMC
23726247 PubMed citation Europe PMC
23792171 PubMed citation Europe PMC
23861389 PubMed citation Europe PMC
23892748 PubMed citation Europe PMC
23893017 PubMed citation Europe PMC
23987445 PubMed citation Europe PMC
23987991 PubMed citation Europe PMC
23991114 PubMed citation Europe PMC
7526642 PubMed citation Europe PMC
Last Modified
04 August 2014