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
KEGG Drug
D01588
ChemSpider
10406
ChEBI
31514
ChEMBL
CHEMBL486696
Wikipedia
Domiphen_bromide
Predicted Properties
PropertyValueSource
Water Solubility1.34e-05 mg/mLALOGPS
logP2.17ALOGPS
logP2.55Chemaxon
logS-7.5ALOGPS
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area9.23 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity117.14 m3·mol-1Chemaxon
Polarizability44.63 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon