Cetylpyridinium chlorideProduct ingredient for Cetylpyridinium

Name
Cetylpyridinium chloride
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
DBSALT001496
Structure
Thumb
Synonyms
Cetilpiridinio cloruro / Cetylpyridinii chloridum / Cetylpyridinium chloride hydrate / Cetylpyridinium chloride monohydrate / Chlorure de cetylpyridinium / Cloruro de cetilpiridinio
External IDs
NB-002
UNII
D9OM4SK49P
CAS Number
6004-24-6
Weight
Average: 358.01
Monoisotopic: 357.2798426
Chemical Formula
C21H40ClNO
InChI Key
NFCRBQADEGXVDL-UHFFFAOYSA-M
InChI
InChI=1S/C21H38N.ClH.H2O/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;1H2/q+1;;/p-1
IUPAC Name
1-hexadecylpyridin-1-ium hydrate chloride
SMILES
O.[Cl-].CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1
KEGG Drug
D01062
KEGG Compound
C11307
ChemSpider
20951
ChEBI
3566
ChEMBL
CHEMBL2003538
Wikipedia
Cetylpyridinium_chloride
Predicted Properties
PropertyValueSource
Water Solubility6.53e-06 mg/mLALOGPS
logP3.18ALOGPS
logP3.47ChemAxon
logS-7.7ALOGPS
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