CHEBI:3020 - benzalkonium chloride

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ChEBI Name benzalkonium chloride
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.
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Formula C9H13ClNR
Net Charge 0
Average Mass (excl. R groups) 170.65900
Monoisotopic Mass (excl. R groups) 170.07365
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.
A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
Biological Role(s): antibacterial agent
A substance (or active part thereof) that kills or slows the growth of bacteria.
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).
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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
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
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Registry Number Type Source
8001-54-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
04 August 2014