Domiphen bromideProduct ingredient for Domiphen
- Name
- Domiphen bromide
- Drug Entry
- Domiphen
Domiphen bromide is a quaternary ammonium compound that is predominantly employed as a topically administered antiseptic agent.
- Accession Number
- DBSALT001884
- Structure
- Synonyms
- Dodecyldimethyl(2-phenoxyethyl)ammonium bromide / Phenododecinium bromide
- External IDs
- NSC-39415
- UNII
- R4CY19YS7C
- CAS Number
- 538-71-6
- Weight
- Average: 414.472
Monoisotopic: 413.229328 - Chemical Formula
- C22H40BrNO
- InChI Key
- OJIYIVCMRYCWSE-UHFFFAOYSA-M
- InChI
- InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1
- IUPAC Name
- dodecyldimethyl(2-phenoxyethyl)azanium bromide
- SMILES
- [Br-].CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1
- External Links
- KEGG Drug
- D01588
- ChemSpider
- 10406
- ChEBI
- 31514
- ChEMBL
- CHEMBL486696
- Wikipedia
- Domiphen_bromide
- Predicted Properties
Property Value Source Water Solubility 1.34e-05 mg/mL ALOGPS logP 2.17 ALOGPS logP 2.55 Chemaxon logS -7.5 ALOGPS pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 9.23 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 117.14 m3·mol-1 Chemaxon Polarizability 44.63 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