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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 of BENZODODECINIUM BROMIDE

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
MOL RATIO 1 MOL RATIO (average)
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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

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 TargetPharmacologyConditionPotency

PubMed

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
Record UNII
IRY12B2TQ6
Record Status Validated (UNII)
Record Version