benzethonium chloride (CHEBI:31264)

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ChEBI Name	benzethonium chloride

ChEBI ID	CHEBI:31264

Definition	A (synthetic) quaternary ammonium salt that is benzyldimethylamine in which the nitrogen is quaternised by a 2-{2-[p-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethyl group, with chloride as the counter-ion. An antiseptic and disinfectant, it is active against a broad spectrum of bacteria, fungi, moulds and viruses.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C27H42ClNO2

Net Charge

Average Mass

448.08100

Monoisotopic Mass

447.29041

InChI

InChI=1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1

InChIKey

UREZNYTWGJKWBI-UHFFFAOYSA-M

SMILES

[Cl-].CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1

Roles Classification
Biological Role(s):	disinfectant An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity. antibacterial agent A substance (or active part thereof) that kills or slows the growth of bacteria. antiviral agent A substance that destroys or inhibits replication of viruses. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.

Application(s):	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).

ChEBI Ontology
Outgoing	benzethonium chloride (CHEBI:31264) has role antibacterial agent (CHEBI:33282) benzethonium chloride (CHEBI:31264) has role antifungal agent (CHEBI:35718) benzethonium chloride (CHEBI:31264) has role antiseptic drug (CHEBI:48218) benzethonium chloride (CHEBI:31264) has role antiviral agent (CHEBI:22587) benzethonium chloride (CHEBI:31264) has role disinfectant (CHEBI:48219) benzethonium chloride (CHEBI:31264) is a aromatic ether (CHEBI:35618) benzethonium chloride (CHEBI:31264) is a chloride salt (CHEBI:23114) benzethonium chloride (CHEBI:31264) is a quaternary ammonium salt (CHEBI:35273)

IUPAC Name

N-benzyl-N,N-dimethyl-2-{2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy}ethanaminium chloride

Synonyms	Sources
benzetonium chloride	ChemIDplus
benzyldimethyl(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride	ChemIDplus
benzyldimethyl(2-{2-[p-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)ammonium chloride	ChemIDplus
benzyldimethyl-p-(1,1,3,3-tetramethylbutyl)phenoxyethoxy-ethylammonium chloride	ChemIDplus
BZT	ChemIDplus
diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride	ChemIDplus
diisobutylphenoxyethoxyethyldimethyl benzyl ammonium chloride	ChemIDplus
N,N-dimethyl-N-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)-benzenemethanaminium chloride	ChemIDplus
p-diisobutyl phenoxyethoxyethyl dimethyl benzylammonium chloride	ChemIDplus
p-tert-octylphenoxyethoxyethyldimethylbenzylammonium chloride	ChemIDplus
{2-[2-(4-diisobutylphenoxy)ethoxy]ethyl}dimethylbenzylammonium chloride	ChemIDplus

Last Modified

16 January 2014