CHEBI:3567 - cetyltrimethylammonium bromide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cetyltrimethylammonium bromide
ChEBI ID CHEBI:3567
Definition The organic bromide salt that is the bromide salt of cetyltrimethylammonium; one of the components of the topical antiseptic cetrimide.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:207931
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formulae C19H42BrN
C19H42N.Br
Net Charge 0
Average Mass 364.44700
Monoisotopic Mass 363.25006
InChI InChI=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
InChIKey LZZYPRNAOMGNLH-UHFFFAOYSA-M
SMILES [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C
Roles Classification
Chemical Role(s): 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.
detergent
A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
Application(s): detergent
A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
Bromat ChemIDplus
Bromure de cetrimonium ChemIDplus
Bromuro de cetrimonio ChemIDplus
Cee dee ChemIDplus
Centimide ChemIDplus
Cetab ChemIDplus
cetrimide ChEBI
Cetrimide
Note: (2013-09-13) A misnomer, as the term 'cetrimide' strictly refers to a mixture of different alkyltrimethylammonium bromides.
 ChemIDplus
Cetrimonii bromidum ChemIDplus
Cetrimonium bromide KEGG COMPOUND
Cetyl trimethyl ammonium bromide ChemIDplus
Cetyltrimethylammonium bromide KEGG COMPOUND
CTAB ChemIDplus
Ctmab ChemIDplus
Hexadecyl-trimethyl-ammonium; bromide ChEMBL
hexadecyltrimethylammonium bromide ChEMBL
hexadecyltrimethylammonium bromide ChemIDplus
N,N,N-Trimethyl-1-hexadecanaminium bromide ChemIDplus
N,N,N-Trimethylcetylammonium bromide ChemIDplus
N-Cetyltrimethylammonium bromide ChemIDplus
N-Hexadecyl-N,N,N-trimethylammonium bromide ChemIDplus
n-Hexadecyltrimethylammonium bromide ChemIDplus
N-Hexadecyltrimethylammonium bromide ChemIDplus
Palmityltrimethyl ammonium bromide ChemIDplus
Trimethylcetylammonium bromide KEGG COMPOUND
Trimethylhexadecylammonium bromide ChemIDplus
Manual Xrefs Databases
126 PPDB
126 VSDB
C11275 KEGG COMPOUND
Cetrimonium_bromide Wikipedia
CTAB MetaCyc
D03454 KEGG DRUG
DB01718 DrugBank
View more database links
Registry Numbers Types Sources
156228 Gmelin Registry Number Gmelin
3598189 Reaxys Registry Number Reaxys
3598189 Beilstein Registry Number Beilstein
57-09-0 CAS Registry Number KEGG COMPOUND
57-09-0 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
10669577 PubMed citation ChEMBL
12127527 PubMed citation ChEMBL
15149689 PubMed citation ChEMBL
15916434 PubMed citation ChEMBL
16658142 PubMed citation Europe PMC
17145794 PubMed citation ChEMBL
17284452 PubMed citation ChEMBL
17294516 PubMed citation Europe PMC
18298942 PubMed citation Europe PMC
19382783 PubMed citation Europe PMC
23219565 PubMed citation Europe PMC
23618346 PubMed citation Europe PMC
23792315 PubMed citation Europe PMC
23981419 PubMed citation Europe PMC
6196640 PubMed citation Europe PMC
7381846 PubMed citation ChEMBL
7526642 PubMed citation Europe PMC
9056367 PubMed citation Europe PMC
9357523 PubMed citation ChEMBL
Last Modified
04 September 2014