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
Structure for Benzoxonium (DB13565)
- Weight
- Average: 364.593
Monoisotopic: 364.321006017 - Chemical Formula
- C23H42NO2
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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Indication Type Indication Combined Product Details Approval Level Age Group Patient Characteristics Dose Form Treatment of Wound site •••••••••••• •••••••• - Associated Therapies
- Contraindications & Blackbox Warnings
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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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Product Ingredients
Ingredient UNII CAS InChI Key Benzoxonium chloride 12IMO9R11X 19379-90-9 UUSQFLGKGQEVCM-UHFFFAOYSA-M
Categories
- ATC Codes
- A01AB14 — Benzoxonium chloride
- A01AB — Antiinfectives and antiseptics for local oral treatment
- A01A — STOMATOLOGICAL PREPARATIONS
- A01 — STOMATOLOGICAL PREPARATIONS
- A — ALIMENTARY TRACT AND METABOLISM
- 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
- AIFA: Biacol Med (Benzoxonium) Topical Solution [Link]
- External Links
- ChemSpider
- 27484
- 236962
- ChEBI
- 135537
- ChEMBL
- CHEMBL2110609
- ZINC
- ZINC000008214499
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Gel Solution Topical Capsule Oral Spray Oral Tablet Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000139 mg/mL ALOGPS logP 2.91 ALOGPS logP 1.25 Chemaxon logS -6.5 ALOGPS pKa (Strongest Acidic) 13.67 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 40.46 Å2 Chemaxon Rotatable Bond Count 17 Chemaxon Refractivity 123.78 m3·mol-1 Chemaxon Polarizability 47.26 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0gyo-9665000000-fb58f901fa1e74a3242d Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 189.20891 predictedDeepCCS 1.0 (2019) [M+H]+ 191.71712 predictedDeepCCS 1.0 (2019) [M+Na]+ 198.1885 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:44 / Updated at May 29, 2021 18:11