CHEBI:77052 - cetylpyridinium bromide

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ChEBI Name cetylpyridinium bromide
ChEBI ID CHEBI:77052
Definition A pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H38BrN
Net Charge 0
Average Mass 384.43700
Monoisotopic Mass 383.21876
InChI InChI=1S/C21H38N.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;/h15,17-18,20-21H,2-14,16,19H2,1H3;1H/q+1;/p-1
InChIKey DVBJBNKEBPCGSY-UHFFFAOYSA-M
SMILES [Br-].CCCCCCCCCCCCCCCC[n+]1ccccc1
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.
Biological Role(s): EC 2.7.11.18 (myosin-light-chain kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of myosin-light-chain kinase (EC 2.7.11.18).
Application(s): 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).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cetylpyridinium bromide (CHEBI:77052) has role antiseptic drug (CHEBI:48218)
cetylpyridinium bromide (CHEBI:77052) has role EC 2.7.11.18 (myosin-light-chain kinase) inhibitor (CHEBI:78763)
cetylpyridinium bromide (CHEBI:77052) has role surfactant (CHEBI:35195)
cetylpyridinium bromide (CHEBI:77052) is a bromide salt (CHEBI:22925)
cetylpyridinium bromide (CHEBI:77052) is a pyridinium salt (CHEBI:38188)
IUPAC Name
1-hexadecylpyridinium bromide
Synonyms Sources
1-cetylpyridinium bromide ChemIDplus
hexadecylpyridinium bromide ChemIDplus
N-cetylpyridinium bromide ChemIDplus
N-hexadecylpyridinium bromide ChemIDplus
Registry Numbers Types Sources
140-72-7 CAS Registry Number ChemIDplus
3778948 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15731386 PubMed citation Europe PMC
21174962 PubMed citation Europe PMC
21237561 PubMed citation Europe PMC
21482290 PubMed citation Europe PMC
23676386 PubMed citation Europe PMC
Last Modified
10 June 2014
General Comment
2014-06-10 For inhibition of myosin-light-chain kinase, see Plant Sci., 1991, v78, 165-175.