U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

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

1958
129
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8504
 9.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Approved
8583
Bradosol

Approved Use

Unknown
Curative
Not Provided
511
EXODEN POWDER

Approved Use

Unknown
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG
inhibitor
2217

OverviewOther

Other InhibitorOther SubstrateOther Inducer
Tox targets

Tox targets

TargetModalityActivityMetaboliteClinical evidence
hERG
2263
Sourcing

Sourcing

Vendor/AggregatorIDURL
1PlusChem LLC
1P00IKVD
A2B Chem
AI66057
ABI Chem
AC1L1FA5
AbovChem LLC
HY-B1467
AK Scientific
F012
Alfa Chemistry
ACM538716
Alfa Chemistry
L12930
Alinda
IBS-L0036106
Angene
AGN-PC-0JK9QT
ApexBio Technology
B1733
Aronis
e00608
BioSynth
W-105700
BLD Pharm
BD41775
BOC Sciences
538-71-6
Bosche Scientific
D3105
Chem Scene
CS-5156
ChemShuttle
151901
Chemspace
CSSS00121582487
https://chem-space.com/CSSS00121582487
Compound Cloud
10866
Compound Cloud
3149
eMolecules
300022885
eMolecules
30082912
eMolecules
491578
eNovation Chemicals
D371218
Hairui
HR134838
Hangzhou APIChem Technology
AC-15736
Hangzhou Yuhao Chemical Technology
XJ0901
KeyOrganics
AS-12368
Lab Network
LN01063138
mcule
MCULE-4445406458
https://mcule.com/MCULE-4445406458/
MedChem Express
HY-B1467
Molnova
M18759
MolPort
MolPort-003-895-805
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
PubMed

PubMed

TitleDatePubMed
Antimicrobial peptides from arachnid venoms and their microbicidal activity in the presence of commercial antibiotics.
2013-01
Rational development of taste masked oral liquids guided by an electronic tongue.
2010-11-15
No detectable effect of RNA-binding protein Hfq absence in Staphylococcus aureus.
2007-02-09
Characterization of micelle formation of dodecyldimethyl-N-2-phenoxyethylammonium bromide in aqueous solution.
2006-06-01
A reversed phase HPLC assay for the simultaneous quantitation of non-ionic and ionic surfactants in bioprocess intermediates.
2006-03-03
Separation of fulvic acid from soil extracts based on ion-pair formation with a cationic surfactant.
2006-02
Development of a novel adenovirus purification process utilizing selective precipitation of cellular DNA.
2005-07-05
5-Dodecanoylaminofluorescein as a probe for the determination of critical micelle concentration of detergents using fluorescence anisotropy.
2005-05-15
Occupational allergic contact dermatitis from alkylammonium amidobenzoate.
2001-05-19
Patents

Patents

WO1992018111A2
2

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
Name Type Language
DOMIPHEN BROMIDE
HSDB   INCI   INN   JAN   MART.   MI   USAN   VANDF   WHO-DD  
INCI   INN   USAN  
Official Name English
ORADOL
Preferred 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
DOMIPHEN BROMIDE [JAN]
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
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
Code System Code Type Description
NSC
39415
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
PUBCHEM
10866
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
EVMPD
SUB06356MIG
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
HSDB
7236
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
DRUG BANK
DBSALT001884
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
SMS_ID
100000080778
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
RXCUI
49255
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY RxNorm
CAS
538-71-6
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
MESH
C007556
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
DAILYMED
R4CY19YS7C
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
INN
2730
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
FDA UNII
R4CY19YS7C
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
WIKIPEDIA
DOMIPHEN BROMIDE
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
ChEMBL
CHEMBL1187011
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
208-702-0
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
NCI_THESAURUS
C72644
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
MERCK INDEX
m4734
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY Merck Index
EPA CompTox
DTXSID5033468
Created by admin on Mon Mar 31 17:33:55 GMT 2025 , Edited by admin on Mon Mar 31 17:33:55 GMT 2025
PRIMARY
ACTIVE MOIETY
Structure of DOMIPHEN
SUBSTANCE RECORD
Structure of DOMIPHEN BROMIDE
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966