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CHEBI:77052 - cetylpyridinium bromide

ChEBI IDCHEBI:77052
ChEBI Namecetylpyridinium bromide
Stars
DefinitionA pyridinium salt that has N-hexadecylpyridinium as the cation and bromide as the anion.
Last Modified10 June 2014
SubmitterGareth Owen
DownloadsMolfile
FormulaBr.C21H38N
Net Charge0
Average Mass384.446
Monoisotopic Mass383.21876
SMILESCCCCCCCCCCCCCCCC[n+]1ccccc1.[Br-]
InChIInChI=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
InChIKeyDVBJBNKEBPCGSY-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:
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:
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)
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  Source
N-cetylpyridinium bromideChemIDplus
1-cetylpyridinium bromideChemIDplus
hexadecylpyridinium bromideChemIDplus
N-hexadecylpyridinium bromideChemIDplus
Registry NumbersSources
Reaxys:3778948Reaxys
CAS:140-72-7ChemIDplus
Citations