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:
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).
antifouling biocide  A compound that inhibits the growth of marine organisms.
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
benzododecinii chloridumWHO MedNet
benzododecinium chlorideWHO MedNet
chlorure de benzododéciniumWHO MedNet
cloruro de benzododecinioWHO MedNet
Synonyms  Source
benzyldimethyldodecylammonium chlorideChemIDplus
benzyldimethyllaurylammonium chlorideChemIDplus
benzyldimethyl-n-dodecylammonium chlorideChEBI
benzyldodecyldimethylammonium chlorideChemIDplus
benzyl-dodecyl-dimethylazanium chlorideChEBI
dimethylbenzyldodecylammonium chlorideChemIDplus
Brand Names  Source
Catigene OMChemIDplus
Catinal CB 50ChemIDplus
Catiogen PANChemIDplus
Catiolite BC 50ChemIDplus
Cequartyl AChemIDplus
RolcrilChemIDplus
Manual XrefsDatabases
8423ChemSpider
D07210KEGG DRUG
Registry NumbersSources
Reaxys:3921689Reaxys
CAS:139-07-1ChemIDplus
Citations