N-Alkyl dimethyl benzyl ammonium chloride (C12-C18)

Identification

Generic Name

N-Alkyl dimethyl benzyl ammonium chloride (C12-C18)

DrugBank Accession Number

DB16590

Background

Not Available

Type

Small Molecule

Groups

Experimental

Structure

Download

MOLSDFPDBSMILESInChI

Similar Structures

Structure for N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (DB16590)

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Weight

Average: 368.05
Monoisotopic: 367.3005781

Chemical Formula

C₂₃H₄₂ClN

Synonyms

• (C12-C18) Alkyldimethylbenzyl ammonium chloride
• (C12-C18)Alkylbenzyldimethylammonium chloride
• (C12-C18)Alkyldimethylbenzylammonium chloride
• Alkyl(C12-C18)benzyldimethylammonium chloride
• C12-18-Alkyldimethylbenzyl ammonium chlorides

External IDs

• SDA 16-052-00

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Pharmacology

Indication

Not Available

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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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Over the Counter Products

Name	Dosage	Strength	Route	Labeller	Marketing Start	Marketing End	Region	Image
Devolver Disinfecting Wipes	Liquid	0.36 g/100g	Topical	Devolver Cosmetics Co., Ltd	2020-10-08	Not applicable

Mixture Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Disinfecting Wipes	N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (1 g/501) + N-alkyl ethylbenzyl dimethyl ammonium chloride (C12-C14) (1 g/501)	Cloth	Topical	NANOFIXIT VENTURES INC.	2020-10-19	Not applicable
Disinfecting Wipes	N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (1 g/801) + N-alkyl ethylbenzyl dimethyl ammonium chloride (C12-C14) (1 g/801)	Cloth	Topical	NANOFIXIT VENTURES INC.	2020-10-19	Not applicable
Disinfecting Wipes	N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (1 g/801) + N-alkyl ethylbenzyl dimethyl ammonium chloride (C12-C14) (1 g/801)	Cloth	Topical	NANOFIXIT VENTURES INC.	2020-09-04	Not applicable
Disinfecting Wipes	N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (1 g/501) + N-alkyl ethylbenzyl dimethyl ammonium chloride (C12-C14) (1 g/501)	Cloth	Topical	NANOFIXIT VENTURES INC.	2020-10-19	Not applicable
Disinfecting Wipes	N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (1 g/801) + N-alkyl ethylbenzyl dimethyl ammonium chloride (C12-C14) (1 g/801)	Cloth	Topical	NANOFIXIT VENTURES INC.	2020-10-19	Not applicable

Unapproved/Other Products

Name	Ingredients	Dosage	Route	Labeller	Marketing Start	Marketing End	Region	Image
Devolver Disinfecting Wipes	N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (0.36 g/100g)	Liquid	Topical	Devolver Cosmetics Co., Ltd	2020-10-08	Not applicable
Disinfecting Wipes	N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (1 g/501) + N-alkyl ethylbenzyl dimethyl ammonium chloride (C12-C14) (1 g/501)	Cloth	Topical	NANOFIXIT VENTURES INC.	2020-10-19	Not applicable
Disinfecting Wipes	N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (1 g/501) + N-alkyl ethylbenzyl dimethyl ammonium chloride (C12-C14) (1 g/501)	Cloth	Topical	NANOFIXIT VENTURES INC.	2020-10-19	Not applicable
Disinfecting Wipes	N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (1 g/801) + N-alkyl ethylbenzyl dimethyl ammonium chloride (C12-C14) (1 g/801)	Cloth	Topical	NANOFIXIT VENTURES INC.	2020-09-04	Not applicable
Disinfecting Wipes	N-Alkyl dimethyl benzyl ammonium chloride (C12-C18) (1 g/501) + N-alkyl ethylbenzyl dimethyl ammonium chloride (C12-C14) (1 g/501)	Cloth	Topical	NANOFIXIT VENTURES INC.	2020-10-19	Not applicable

Categories

Drug Categories

Not Available

Chemical TaxonomyProvided by Classyfire

Description

This compound belongs to the class of organic compounds known as alkyldimethylbenzylammonium chlorides. These are organic compounds consisting of a quaternary ammonium group substituted with a benzyl group, two methyl groups as well as an alkyl chain. These compounds also contain a chlorine ion and have the general structure R1[N+](CH3)(CH3)R2.[Cl-], where R1 = benzyl group and R2 = alkyl chain.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Alkyldimethylbenzylammonium halides

Direct Parent

Alkyldimethylbenzylammonium chlorides

Alternative Parents

Phenylmethylamines / Benzylamines / Aralkylamines / Tetraalkylammonium salts / Organopnictogen compounds / Organic chloride salts / Hydrocarbon derivatives

Substituents

Alkyldimethylbenzylammonium chloride / Amine / Aralkylamine / Aromatic homomonocyclic compound / Benzylamine / Hydrocarbon derivative / Organic chloride salt / Organic nitrogen compound / Organic salt / Organonitrogen compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Affected organisms

Not Available

Chemical Identifiers

UNII

9U1Q4T4ZYS

CAS number

68391-01-5

InChI Key

OCBHHZMJRVXXQK-UHFFFAOYSA-M

InChI

InChI=1S/C23H42N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H/q+1;/p-1

IUPAC Name

benzyldimethyltetradecylazanium chloride

SMILES

[Cl-].CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

References

General References

Not Available

External Links

ChemSpider

8425

RxNav

1539816

ChEMBL

CHEMBL421049

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count

Pharmacoeconomics

Manufacturers

Not Available

Packagers

Not Available

Dosage Forms

Form	Route	Strength
Liquid	Topical	0.36 g/100g
Cloth	Topical
Liquid	Topical

Prices

Not Available

Patents

Not Available

Properties

State

Not Available

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
logP	3.52	Chemaxon
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	15	Chemaxon
Refractivity	120.4 m3·mol-1	Chemaxon
Polarizability	45.75 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

Not Available

Chromatographic Properties

Collision Cross Sections (CCS)

Adduct	CCS Value (Å2)	Source type	Source
[M-H]-	189.71165	predicted	DeepCCS 1.0 (2019)
[M+H]+	192.26195	predicted	DeepCCS 1.0 (2019)
[M+Na]+	198.60487	predicted	DeepCCS 1.0 (2019)

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Drug created at February 15, 2021 16:36 / Updated at February 15, 2021 18:49