CHEBI:31264 - benzethonium chloride

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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.
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Formula C27H42ClNO2
Net Charge 0
Average Mass 448.08100
Monoisotopic Mass 447.290
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 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).
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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
INNs Sources
benzethonii chloridum ChemIDplus
benzethonium chloride ChemIDplus
chlorure de benzéthonium WHO MedNet
cloruro de benzetonio ChemIDplus
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
Brand Names Sources
Anti-germ 77 ChemIDplus
Antiseptol ChemIDplus
Banagerm ChemIDplus
Diapp ChemIDplus
Disilyn ChemIDplus
Hyamine ChemIDplus
Hyamine 1622 ChemIDplus
Inactisol ChemIDplus
Kylacol ChemIDplus
Microklenz ChemIDplus
Neostelin green KEGG DRUG
Phemeride ChemIDplus
Phemerol chloride ChemIDplus
Phemithyn ChemIDplus
Polymine D ChemIDplus
Polymine D ChemIDplus
QAC ChemIDplus
Quatrachlor ChemIDplus
Salanine ChEBI
Sanizol ChemIDplus
Solamin ChemIDplus
Solamine ChemIDplus
Database Links Databases
3898548 Wikipedia
Benzethonium_chloride Wikipedia
C12539 KEGG COMPOUND
D01140 KEGG DRUG
US2115250 Patent
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Registry Numbers Types Sources
121-54-0 CAS Registry Number KEGG COMPOUND
121-54-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
11453769 PubMed citation Europe PMC
11606328 PubMed citation Europe PMC
12595925 PubMed citation Europe PMC
16750419 PubMed citation Europe PMC
17867553 PubMed citation Europe PMC
22828255 PubMed citation Europe PMC
2310164 PubMed citation Europe PMC
2735743 PubMed citation Europe PMC
3416474 PubMed citation Europe PMC
3995765 PubMed citation Europe PMC
Last Modified
16 January 2014