Cetrimonium bromideProduct ingredient for Cetrimonium
- Name
- Cetrimonium bromide
- Drug Entry
- Cetrimonium
Cetrimonium is a quaternary ammonium cation whose salts are used as antiseptics.
- Accession Number
- DBSALT001769
- Structure
Structure for Cetrimonium bromide (DBSALT001769)
- Synonyms
- Cetyl trimethyl ammonium bromide / Cetyltrimethylammonium bromide / Hexadecyltrimethylammonium bromide / N,N,N-trimethyl-1-hexadecanaminium bromide
- UNII
- L64N7M9BWR
- CAS Number
- 57-09-0
- Weight
- Average: 364.456
Monoisotopic: 363.250063 - Chemical Formula
- C19H42BrN
- InChI Key
- LZZYPRNAOMGNLH-UHFFFAOYSA-M
- InChI
- InChI=1S/C19H42N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;/h5-19H2,1-4H3;1H/q+1;/p-1
- IUPAC Name
- hexadecyltrimethylazanium bromide
- SMILES
- [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)C
- External Links
- KEGG Drug
- D03454
- KEGG Compound
- C11275
- ChemSpider
- 5754
- ChEBI
- 3567
- ChEMBL
- CHEMBL307346
- Wikipedia
- Cetrimonium_bromide
- Predicted Properties
Property Value Source Water Solubility 1.41e-05 mg/mL ALOGPS logP 1.92 ALOGPS logP 2.69 Chemaxon logS -7.4 ALOGPS Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 0 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 0 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 104.99 m3·mol-1 Chemaxon Polarizability 41.09 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon