Benzododecinium bromideProduct ingredient for Benzododecinium

Show full entry for Benzododecinium
Name
Benzododecinium bromide
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
DBSALT003165
Structure
Similar Structures
Synonyms
Lauralkonium bromide
External IDs
Caswell No. 416B
UNII
IRY12B2TQ6
CAS Number
7281-04-1
Weight
Average: 384.446
Monoisotopic: 383.218763
Chemical Formula
C21H38BrN
InChI Key
KHSLHYAUZSPBIU-UHFFFAOYSA-M
InChI
InChI=1S/C21H38N.BrH/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 bromide
SMILES
[Br-].CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
ChemSpider
22165
ChEMBL
CHEMBL2355417
Wikipedia
Benzododecinium_bromide
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