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

Identification

Summary

Benzoxonium is an antiseptic indicated in skin disinfection and prevention of infections.

Generic Name
Benzoxonium
DrugBank Accession Number
DB13565
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 364.593
Monoisotopic: 364.321006017
Chemical Formula
C23H42NO2
Synonyms
Not Available

Pharmacology

Indication

Not Available

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Associated Conditions
Associated Therapies
Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Benzoxonium chloride12IMO9R11X19379-90-9UUSQFLGKGQEVCM-UHFFFAOYSA-M

Categories

ATC Codes
A01AB14 — Benzoxonium chlorideD08AJ05 — Benzoxonium chloride
Drug Categories
Chemical TaxonomyProvided by Classyfire
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 / 1,2-aminoalcohols / Primary alcohols / Organopnictogen compounds / Organic salts / Hydrocarbon derivatives / Organic cations
Substituents
1,2-aminoalcohol / Alcohol / Alkanolamine / Amine / Aralkylamine / Aromatic homomonocyclic compound / Benzylamine / Hydrocarbon derivative / Organic cation / Organic nitrogen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
D95EHT6Y2L
CAS number
23884-64-2
InChI Key
BTAFSOGRDASALR-UHFFFAOYSA-N
InChI
InChI=1S/C23H42NO2/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3/q+1
IUPAC Name
benzyl(dodecyl)bis(2-hydroxyethyl)azanium
SMILES
CCCCCCCCCCCC[N+](CCO)(CCO)CC1=CC=CC=C1

References

General References
  1. AIFA: Biacol Med (Benzoxonium) Topical Solution [Link]
ChemSpider
27484
RxNav
236962
ChEBI
135537
ChEMBL
CHEMBL2110609
ZINC
ZINC000008214499

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Gel
SolutionTopical
CapsuleOral
SprayOral
TabletOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000139 mg/mLALOGPS
logP2.91ALOGPS
logP1.25ChemAxon
logS-6.5ALOGPS
pKa (Strongest Acidic)13.67ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area40.46 Å2ChemAxon
Rotatable Bond Count17ChemAxon
Refractivity123.78 m3·mol-1ChemAxon
Polarizability47.26 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

Drug created at June 23, 2017 20:44 / Updated at May 29, 2021 18:11