CHEBI:167208 - benzododecinium chloride

ChEBI IDCHEBI:167208
ChEBI Namebenzododecinium chloride
Stars
DefinitionThe organic chloride salt of benzododecinium. It has antiseptic and disinfectant properties, and used as a preservative in eye drop formulations.
Last Modified20 January 2021
SubmitterAdnan
DownloadsMolfile
FormulaC21H38N.Cl
Net Charge0
Average Mass339.995
Monoisotopic Mass339.26928
SMILESCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]
InChIInChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
InChIKeyJBIROUFYLSSYDX-UHFFFAOYSA-M
Roles Classification
Chemical Role:
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.
Biological Role:
disinfectant  An antimicrobial agent that is applied to non-living objects to destroy harmful microorganisms or to inhibit their activity.
Applications:
antifouling biocide  A compound that inhibits the growth of marine organisms.
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)
benzododecinium chloride (CHEBI:167208) has part benzododecinium (CHEBI:135611)
benzododecinium chloride (CHEBI:167208) has role antifouling biocide (CHEBI:51076)
benzododecinium chloride (CHEBI:167208) has role antiseptic drug (CHEBI:48218)
benzododecinium chloride (CHEBI:167208) has role disinfectant (CHEBI:48219)
benzododecinium chloride (CHEBI:167208) has role surfactant (CHEBI:35195)
benzododecinium chloride (CHEBI:167208) is a organic chloride salt (CHEBI:36094)
benzododecinium chloride (CHEBI:167208) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
N-benzyl-N,N-dimethyldodecan-1-aminium chloride
INNs  Source
chlorure de benzododéciniumWHO MedNet
benzododecinium chlorideWHO MedNet
cloruro de benzododecinioWHO MedNet
benzododecinii chloridumWHO MedNet
Synonyms  Source
lauryl dimethyl benzyl ammonium chlorideChemIDplus
benzyldimethyldodecylammonium chlorideChemIDplus
benzyldodecyldimethylammonium chlorideChemIDplus
benzyldimethyllaurylammonium chlorideChemIDplus
dimethylbenzyllaurylammonium chlorideChemIDplus
dimethyldodecylbenzylammonium chlorideChemIDplus
Brand Names  Source
ZephirolChemIDplus
Catigene OMChemIDplus
Catinal CB 50ChemIDplus
Catiogen PANChemIDplus
Catiolite BC 50ChemIDplus
Cequartyl AChemIDplus
Manual XrefsDatabases
D07210KEGG DRUG
8423ChemSpider
Registry NumbersSources
Reaxys:3921689Reaxys
CAS:139-07-1ChemIDplus
Citations