BENZODODECINIUM BROMIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H38N.Br
Molecular Weight	384.437
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Br-].CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChIKey=KHSLHYAUZSPBIU-UHFFFAOYSA-M

InChI=1S/C21H38N.BrH/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;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula	BrH
Molecular Weight	80.912
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C21H38N
Molecular Weight	304.5331
Charge	1
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/10657748 | https://www.medicines.org.uk/emc/product/5111/smpc | https://www.sandoz.ca/sites/www.sandoz.ca/files/Timolol%20Maleate-Ex%20Consumer%20information.pdf | https://www.drugs.com/international/benzododecinium.html | https://www.ncbi.nlm.nih.gov/pubmed/21393196 | https://www.ncbi.nlm.nih.gov/pubmed/13238957

Benzododecinium, a quaternary ammonium compound, is an antiseptic agent and disinfectant. Benzododecinium is used as preservative in different pharmaceutical formulations. Thus, the dispenser of Timoptol-LA, used for the treatment of patients with ocular hypertension, contains benzododecinium bromide as a preservative. It is used as preservative and the corneal permeability enhancer in formulation. Benzododecinium is effective against gram-positive microbes.

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Spodoptera exigua 3 Target ID: CHEMBL613321 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29175345	Inhibitor 8297
Pseudomonas fluorescens 4 Target ID: CHEMBL612500 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21393196	Inhibitor 8297

PubMed

Title	Date	PubMed
Adverse drug reactions in Canada. Hematologic reactions to sterol and sterolin-containing products.	2004 Aug	15455811
Analysis of benzyldimethyldodecylammonium bromide in chemical disinfectants by liquid chromatography and capillary electrophoresis.	2004 Jun 11	15250425
Water purification from organic pollutants by optimized micelle-clay systems.	2005 Apr 1	15871274
[Preformulation studies of potential drug XIX M: partition coefficient].	2005 Mar	15895969
Architecture of the hydrophobic and hydrophilic layers as found from crystal structure analysis of N-benzyl-N,N-dimethylalkylammonium bromides.	2005 Oct 1	16122544
Identification of benzalkonium chloride in commercial grapefruit seed extracts.	2005 Sep 21	16159196
Molecular mechanism and thermodynamics study of plasmid DNA and cationic surfactants interactions.	2006 Apr 11	16584250
Release characteristics of anionic drug compounds from liquid crystalline gels. Part II. The effects of ion pairing and buffering on the passive delivery of anionic drugs across non-rate-limiting membranes.	2006 Mar 27	16426777
Surface and volume properties of dodecylethyldimethylammonium bromide and benzyldimethyldodecylammonium bromide I. Surface properties of dodecylethyldimethylammonium bromide and benzyldimethyldodecylammonium bromide.	2009 Mar 15	19095241
Characterization of occupational exposures to cleaning products used for common cleaning tasks--a pilot study of hospital cleaners.	2009 Mar 27	19327131
Synthesis of macroporous thermosensitive hydrogels: a novel method of controlling pore size.	2009 Mar 3	19437726
Biofouling control using microparticles carrying a biocide.	2010	19937490
Sorption of quaternary ammonium compounds to municipal sludge.	2010 Apr	20045549
The use of quaternary ammonium disinfectants selects for persisters at high frequency from some species of non-tuberculous mycobacteria and may be associated with outbreaks of soft tissue infections.	2010 Dec	20926395
Short-term comparative study of the effects of preserved and unpreserved topical levofloxacin on the human ocular surface.	2010 Dec	20550489
Tolerability and effectiveness of preservative-free dorzolamide-timolol (preservative-free COSOPT) in patients with open-angle glaucoma or ocular hypertension.	2010 Jul 21	20668720

Patents

Sample Use Guides

In Vivo Use Guide

Ophthalmic use: The 25 uL of test sample was instilled in the lower conjunctival sac of eye and holded for 10 seconds.

Route of Administration: Topical

In Vitro Use Guide

The MIC was found to be 20 mg/L and the MBC was 10 mg/L

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:57:27 GMT 2023` Edited by `admin` on `Fri Dec 15 15:57:27 GMT 2023`
Record UNII	IRY12B2TQ6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZODODECINIUM BROMIDE

Common Name

English

N-DODECYL-N,N-DIMETHYLBENZENEMETHANAMINIUM BROMIDE

Systematic Name

English

Benzododecinium bromide [WHO-DD]

Common Name

English

BENZENEMETHANAMINIUM, N-DODECYL-N,N-DIMETHYL-, BROMIDE

Systematic Name

English

BENZODODECINIUM BROMIDE [MART.]

Common Name

English

AMMONIUM, BENZYLDODECYLDIMETHYL-, BROMIDE

Systematic Name

English

BENZODODECINIUM BROMIDE [II]

Common Name

English

LAURALKONIUM BROMIDE

Official Name

English

LAURALKONIUM BROMIDE [INCI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C28394