Benzododecinium chlorideProduct ingredient for Benzododecinium

Show full entry for Benzododecinium
Name
Benzododecinium chloride
Drug Entry
Benzododecinium

Benzododecinium is used as an antiseptic/disinfectant compound. It has been marketed as a tincture for antiseptic product for wounds in the Czech Republic.

See full entry for Benzododecinium
Accession Number
DBSALT003166
Structure
Similar Structures
Synonyms
Benzododecinii chloridum / Benzododecinium chloride / Chlorure de benzododecinium / Cloruro de benzododecinio / Lauralkonium chloride
UNII
Y5A751G47H
CAS Number
139-07-1
Weight
Average: 339.99
Monoisotopic: 339.2692779
Chemical Formula
C21H38ClN
InChI Key
JBIROUFYLSSYDX-UHFFFAOYSA-M
InChI
InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1
IUPAC Name
benzyl(dodecyl)dimethylazanium chloride
SMILES
[Cl-].CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
ChemSpider
8423
ChEMBL
CHEMBL1885899
Predicted Properties
PropertyValueSource
logP2.63Chemaxon
pKa (Strongest Acidic)18.11Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count0Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area0 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity111.2 m3·mol-1Chemaxon
Polarizability41.48 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon