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CHEBI:31264 - benzethonium chloride

ChEBI IDCHEBI:31264
ChEBI Namebenzethonium chloride
Stars
DefinitionA (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.
Last Modified16 January 2014
DownloadsMolfile
FormulaC27H42NO2.Cl
Net Charge0
Average Mass448.091
Monoisotopic Mass447.29041
SMILESCC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-]
InChIInChI=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
InChIKeyUREZNYTWGJKWBI-UHFFFAOYSA-M
Wikipedia
Roles Classification
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.
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:
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 Relation(s)
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  Source
benzethonii chloridumChemIDplus
chlorure de benzéthoniumWHO MedNet
benzethonium chlorideChemIDplus
cloruro de benzetonioChemIDplus
Synonyms  Source
benzyldimethyl-p-(1,1,3,3-tetramethylbutyl)phenoxyethoxy-ethylammonium chlorideChemIDplus
N,N-dimethyl-N-(2-{2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy}ethyl)-benzenemethanaminium chlorideChemIDplus
{2-[2-(4-diisobutylphenoxy)ethoxy]ethyl}dimethylbenzylammonium chlorideChemIDplus
p-tert-octylphenoxyethoxyethyldimethylbenzylammonium chlorideChemIDplus
p-diisobutyl phenoxyethoxyethyl dimethyl benzylammonium chlorideChemIDplus
diisobutylphenoxyethoxyethyldimethyl benzyl ammonium chlorideChemIDplus
Brand Names  Source
PhemerideChemIDplus
Phemerol chlorideChemIDplus
Polymine DChemIDplus
BanagermChemIDplus
MicroklenzChemIDplus
KylacolChemIDplus
Manual XrefsDatabases
C12539KEGG COMPOUND
D01140KEGG DRUG
Benzethonium_chlorideWikipedia
3898548Wikipedia
US2115250Patent
Registry NumbersSources
CAS:121-54-0KEGG COMPOUND
CAS:121-54-0ChemIDplus
Citations