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
Structure for Cetylpyridinium bromide (DBSALT002695)
- 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
- External Links
- ChemSpider
- 8485
- ChEBI
- 77052
- ChEMBL
- CHEMBL334255
- Predicted Properties
Property Value Source Water Solubility 1.43e-05 mg/mL ALOGPS logP 1.45 ALOGPS logP 3.47 Chemaxon logS -7.4 ALOGPS Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 3.88 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 99.14 m3·mol-1 Chemaxon Polarizability 42.21 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon