DOMIPHEN BROMIDE

US Previously Marketed

First approved in 1958

Details

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

SHOW SMILES / InChI

Structure Search

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

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

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

Description
Sources: https://dailymed.nlm.nih.gov/dailymed/drugInfo.cfm?setid=4c6f6f68-41b2-4da7-be37-9d2724728bfe | https://www.ncbi.nlm.nih.gov/pubmed/24846011

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 Target	Pharmacology	Condition	Potency
HERG 92 Target ID: CHEMBL240 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24846011	Inhibitor 8297		9.0 nM [IC50]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Bacterial Infections 63 Sources: https://www.ncbi.nlm.nih.gov/pubmed/13874295	Curative		Approved 8429	Bradosol Approved Use Unknown
Acute infectious dental diseases 2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/6381338	Curative		Not Provided 504	EXODEN POWDER Approved Use Unknown

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
			inhibitor 1612

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 1647	inhibitor 1626 Sources: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4527083/

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P00IKVD
A2B Chem	AI66057
ABI Chem	AC1L1FA5
AK Scientific	F012
AbovChem LLC	HY-B1467
Alfa Chemistry	ACM538716
Alfa Chemistry	L12930
Alinda	IBS-L0036106
Angene	AGN-PC-0JK9QT
ApexBio Technology	B1733
Aronis	e00608
BLD Pharm	BD41775
BOC Sciences	538-71-6
BioSynth	W-105700
Bosche Scientific	D3105
Chem Scene	CS-5156
ChemShuttle	151901
Chemspace	CSSS00121582487	https://chem-space.com/CSSS00121582487
Compound Cloud	10866
Compound Cloud	3149
Hairui	HR134838
Hangzhou APIChem Technology	AC-15736
Hangzhou Yuhao Chemical Technology	XJ0901
KeyOrganics	AS-12368
Lab Network	LN01063138
MedChem Express	HY-B1467
MolPort	MolPort-003-895-805
Molnova	M18759
MuseChem	M053005
PI Chemicals	PI-31525
Princeton BioMolecular Research	OSSL_299363
Scientific Exchange	F-183810
Selleck Chemicals	S4186
ShangHai Biochempartner	BCP04904
Sigma Aldrich	247480
Sigma Aldrich	247480\|ALDRICH
Sigma Aldrich	R416436
Sigma Aldrich	R416436\|ALDRICH
Smolecule	S586403	https://www.smolecule.com/products/s586403
TargetMol	T6477
Tetrahedron	TS81536
TimTec	SBB058315
TimTec	ST088109
TimTec	ST45026016
Vitas-M Laboratory	STL257462
Wonderchem	WD03NW7
ZINC	ZINC000006845992	http://zinc15.docking.org/substances/ZINC000006845992
eMolecules	300022885
eMolecules	30082912
eMolecules	491578
eNovation Chemicals	D371218
mcule	MCULE-4445406458	https://mcule.com/MCULE-4445406458/

PubMed

Title	Date	PubMed
Separation of fulvic acid from soil extracts based on ion-pair formation with a cationic surfactant.	2006 Feb	16512413
Characterization of micelle formation of dodecyldimethyl-N-2-phenoxyethylammonium bromide in aqueous solution.	2006 Jun 1	16413565
A reversed phase HPLC assay for the simultaneous quantitation of non-ionic and ionic surfactants in bioprocess intermediates.	2006 Mar 3	16242286
No detectable effect of RNA-binding protein Hfq absence in Staphylococcus aureus.	2007 Feb 9	17291347
Rational development of taste masked oral liquids guided by an electronic tongue.	2010 Nov 15	20816732

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 Created by `admin` on `Fri Dec 15 14:58:57 GMT 2023` Edited by `admin` on `Fri Dec 15 14:58:57 GMT 2023`
Record UNII	R4CY19YS7C
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

DOMIPHEN BROMIDE

Official Name

English

NSC-39415

Code

English

DOMIPHEN BROMIDE [USAN]

Common Name

English

Domiphen bromide [WHO-DD]

Common Name

English

DOMIPHEN BROMIDE [HSDB]

Common Name

English

1-DODECANAMINIUM, N,N-DIMETHYL-N-(2-PHENOXYETHYL)-, BROMIDE

Systematic Name

English

DOMIPHEN BROMIDE [MART.]

Common Name

English

PHENODODECINIUM BROMIDE

Common Name

English

ORADOL

Brand Name

English

DOMIPHEN BROMIDE [JAN]

Common Name

English

DOMIPHEN BROMIDE [INCI]

Common Name

English

Dodecyldimethyl(2-phenoxyethyl)ammonium bromide

Systematic Name

English

domiphen bromide [INN]

Common Name

English

DOMIPHEN BROMIDE [VANDF]

Common Name

English

DOMIPHEN BROMIDE [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C83486