CHEBI:3567 - cetyltrimethylammonium bromide

ChEBI IDCHEBI:3567
ChEBI Namecetyltrimethylammonium bromide
Stars
DefinitionThe organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide.
Secondary ChEBI IDCHEBI:207931
Last Modified4 September 2014
DownloadsMolfile
FormulaBr.C19H42N
Net Charge0
Average Mass364.456
Monoisotopic Mass363.25006
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
InChIKeyLZZYPRNAOMGNLH-UHFFFAOYSA-M
Wikipedia
Roles Classification
Chemical Roles:
detergent  A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
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.
Application:
detergent  A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
ChEBI Ontology
Outgoing Relation(s)
cetyltrimethylammonium bromide (CHEBI:3567) has part cetyltrimethylammonium ion (CHEBI:39561)
cetyltrimethylammonium bromide (CHEBI:3567) has role detergent (CHEBI:27780)
cetyltrimethylammonium bromide (CHEBI:3567) has role surfactant (CHEBI:35195)
cetyltrimethylammonium bromide (CHEBI:3567) is a organic bromide salt (CHEBI:48369)
cetyltrimethylammonium bromide (CHEBI:3567) is a quaternary ammonium salt (CHEBI:35273)
IUPAC Name 
N,N,N-trimethylhexadecan-1-aminium bromide
Synonyms  Source
Cetyltrimethylammonium bromideKEGG COMPOUND
Cetrimonium bromideKEGG COMPOUND
Trimethylcetylammonium bromideKEGG COMPOUND
hexadecyltrimethylammonium bromideChemIDplus
Hexadecyl-trimethyl-ammonium; bromideChEMBL
hexadecyltrimethylammonium bromideChEMBL
Manual XrefsDatabases
C11275KEGG COMPOUND
DB01718DrugBank
Cetrimonium_bromideWikipedia
D03454KEGG DRUG
CTABMetaCyc
126PPDB
126VSDB
Registry NumbersSources
Gmelin:156228Gmelin
Reaxys:3598189Reaxys
CAS:57-09-0KEGG COMPOUND
CAS:57-09-0ChemIDplus
Citations