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Details

Stereochemistry ACHIRAL
Molecular Formula C22H40NO.Br
Molecular Weight 414.463
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOMIPHEN BROMIDE

SMILES

[Br-].CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1

InChI

InChIKey=OJIYIVCMRYCWSE-UHFFFAOYSA-M
InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;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 C22H40NO
Molecular Weight 334.5591
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Description

Domiphen bromide it is used for the treatment of Acute Infectious Dental Diseases. Domiphen bromide is a quaternary antiseptic with actions and uses similar to those of cationic surfactants. Domiphen bromide has potent activity on blockade of human ether-a-go-go related gene (HERG) channels.

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
9.0 nM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Bradosol
Curative
EXODEN POWDER

Overview

CYP3A4CYP2C9CYP2D6hERG

OverviewOther

Other InhibitorOther SubstrateOther Inducer

Tox targets

Sourcing

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Wet your toothbrush, shake off surplus water and press into powder. Brush teeth thoroughly and rinse
Route of Administration: Dental
In Vitro Use Guide
Unknown
Substance Class Chemical
Record UNII
R4CY19YS7C
Record Status Validated (UNII)
Record Version