Benzododecinium

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Benzododecinium
Accession Number
DB13282
Type
Small Molecule
Groups
Approved
Description

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

Structure
Thumb
Synonyms
Not Available
Categories
UNII
N0BN0O8CSL
CAS number
10328-35-5
Weight
Average: 304.541
Monoisotopic: 304.299876648
Chemical Formula
C21H38N
InChI Key
CYDRXTMLKJDRQH-UHFFFAOYSA-N
InChI
InChI=1S/C21H38N/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/q+1
IUPAC Name
benzyl(dodecyl)dimethylazanium
SMILES
CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
8424
ChEBI
135611
ChEMBL
CHEMBL1907001
Wikipedia
Benzododecinium_bromide
ATC Codes
D09AA05 — Benzododecinium

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility4.79e-06 mg/mLALOGPS
logP2.79ALOGPS
logP2.63ChemAxon
logS-7.8ALOGPS
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
Polarizability41.07 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Phenylmethylamines
Direct Parent
Phenylmethylamines
Alternative Parents
Benzylamines / Aralkylamines / Tetraalkylammonium salts / Organopnictogen compounds / Organic salts / Hydrocarbon derivatives / Organic cations
Substituents
Phenylmethylamine / Benzylamine / Aralkylamine / Tetraalkylammonium salt / Quaternary ammonium salt / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Organic salt / Organonitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:39 / Updated on September 02, 2019 19:56