Benzododecinium

Identification

Generic Name

Benzododecinium

DrugBank Accession Number

DB13282

Background

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

Type

Small Molecule

Groups

Experimental

Structure

3D

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MOLSDF3D-SDFPDBSMILESInChI

Similar Structures

Structure for Benzododecinium (DB13282)

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Weight

Average: 304.541
Monoisotopic: 304.299876648

Chemical Formula

C₂₁H₃₈N

Synonyms

Not Available

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Pharmacology

Indication

Not Available

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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

Ingredient	UNII	CAS	InChI Key
Benzododecinium bromide	IRY12B2TQ6	7281-04-1	KHSLHYAUZSPBIU-UHFFFAOYSA-M
Benzododecinium chloride	Y5A751G47H	139-07-1	JBIROUFYLSSYDX-UHFFFAOYSA-M

Over the Counter Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
Youjie Weishi Antibacterial Hand Wash	Liquid	2 g/500mL	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable

Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Youjie Weishi Cloth Cleaning Disinfectant	Benzododecinium bromide (38.16 g/720mL) + Methenamine (71.28 g/720mL)	Liquid	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable
Youjie Weishi Disinfectant	Benzododecinium bromide (0.3948 g/420mL) + Methenamine (1.092 g/420mL)	Liquid	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable
Youjie Weishi Kitchen Cleaning Disinfectant	Benzododecinium bromide (38.16 g/720mL) + Methenamine (71.28 g/720mL)	Liquid	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable
Youjie Weishi Rinse-free Hand Disinfectant	Benzododecinium bromide (0.376 g/400mL) + Methenamine (1.04 g/400mL)	Liquid	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable
Youjie Weishi Rinse-free Hand Disinfectant	Benzododecinium bromide (0.047 g/50mL) + Methenamine (0.13 g/50mL)	Liquid	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Youjie Weishi Antibacterial Hand Wash	Benzododecinium bromide (2 g/500mL)	Liquid	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable
Youjie Weishi Cloth Cleaning Disinfectant	Benzododecinium bromide (38.16 g/720mL) + Methenamine (71.28 g/720mL)	Liquid	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable
Youjie Weishi Disinfectant	Benzododecinium bromide (0.3948 g/420mL) + Methenamine (1.092 g/420mL)	Liquid	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable
Youjie Weishi Kitchen Cleaning Disinfectant	Benzododecinium bromide (38.16 g/720mL) + Methenamine (71.28 g/720mL)	Liquid	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable
Youjie Weishi Rinse-free Hand Disinfectant	Benzododecinium bromide (0.047 g/50mL) + Methenamine (0.13 g/50mL)	Liquid	Extracorporeal	Hebei Youjie Weishi Technology Co., Ltd.	2020-04-02	Not applicable

Categories

ATC Codes

D09AA05 — Benzododecinium

• D09AA — Medicated dressings with antiinfectives
• D09A — MEDICATED DRESSINGS
• D09 — MEDICATED DRESSINGS
• D — DERMATOLOGICALS

Drug Categories

• Amines
• Anti-Infective Agents
• Anti-Infective Agents, Local
• Benzylammonium Compounds
• Compounds used in a research, industrial, or household setting
• Dermatologicals
• Disinfectants
• Medicated Dressings
• Medicated Dressings With Antiinfectives
• Onium Compounds
• Quaternary Ammonium Compounds

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 / Organopnictogen compounds / Organic salts / Hydrocarbon derivatives / Organic cations

Substituents

Amine / Aralkylamine / Aromatic homomonocyclic compound / Benzylamine / Hydrocarbon derivative / Organic cation / Organic nitrogen compound / Organic salt / Organonitrogen compound / Organopnictogen compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Affected organisms

Not Available

Chemical Identifiers

UNII

N0BN0O8CSL

CAS number

10328-35-5

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

References

General References

Not Available

External Links

ChemSpider

8424

RxNav

1311593

ChEBI

135611

ChEMBL

CHEMBL1907001

ZINC

ZINC000038141462

Wikipedia

Benzododecinium_bromide

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Liquid	Extracorporeal	2 g/500mL
Liquid	Extracorporeal

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	4.79e-06 mg/mL	ALOGPS
logP	2.79	ALOGPS
logP	2.63	Chemaxon
logS	-7.8	ALOGPS
pKa (Strongest Acidic)	18.11	Chemaxon
Physiological Charge	1	Chemaxon
Hydrogen Acceptor Count	0	Chemaxon
Hydrogen Donor Count	0	Chemaxon
Polar Surface Area	0 Å2	Chemaxon
Rotatable Bond Count	13	Chemaxon
Refractivity	111.2 m3·mol-1	Chemaxon
Polarizability	41.07 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	splash10-000x-7960000000-fe5ff9498baba8e8e711
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]-	184.9117	predicted	DeepCCS 1.0 (2019)
[M+H]+	187.26967	predicted	DeepCCS 1.0 (2019)
[M+Na]+	193.41913	predicted	DeepCCS 1.0 (2019)

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Drug created at June 23, 2017 20:39 / Updated at March 13, 2021 17:03