Cetylpyridinium bromideProduct ingredient for Cetylpyridinium

Name
Cetylpyridinium bromide
Drug Entry
Cetylpyridinium

Cetylpyridinium is a quaternary ammonium with broad-spectrum antiseptic properties. Its salt form, cetylpyridinium chloride, is typically found as an active ingredient in mouthwashes, toothpastes, lozenges, throat sprays, breath sprays, and nasal sprays. In these products, it generally mediates an antiseptic activity and protective action against dental plaque and reducing gingivitis.

Accession Number
DBSALT002695
Structure
Synonyms
1-hexadecylpyridinium bromide
UNII
O77BKZ14DE
CAS Number
140-72-7
Weight
Average: 384.446
Monoisotopic: 383.218763
Chemical Formula
C21H38BrN
InChI Key
DVBJBNKEBPCGSY-UHFFFAOYSA-M
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
IUPAC Name
1-hexadecylpyridin-1-ium bromide
SMILES
[Br-].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1
ChemSpider
8485
ChEBI
77052
ChEMBL
CHEMBL334255
Predicted Properties
PropertyValueSource
Water Solubility1.43e-05 mg/mLALOGPS
logP1.45ALOGPS
logP3.47ChemAxon
logS-7.4ALOGPS
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area3.88 Å2ChemAxon
Rotatable Bond Count15ChemAxon
Refractivity99.14 m3·mol-1ChemAxon
Polarizability42.21 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon