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Details

Stereochemistry ACHIRAL
Molecular Formula C22H40NO
Molecular Weight 334.5591
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of DOMIPHEN

SMILES

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

InChI

InChIKey=YXUPZGKORWTXID-UHFFFAOYSA-N
InChI=1S/C22H40NO/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/q+1

HIDE SMILES / InChI
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

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
128
Targets

Targets

Primary TargetPharmacologyConditionPotency
Inhibitor
8297
 9.0 nM [IC50]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Curative
Approved
8429
Bradosol

Approved Use

Unknown
Curative
Not Provided
504
EXODEN POWDER

Approved Use

Unknown
Overview

Overview

CYP3A4CYP2C9CYP2D6hERG
inhibitor
1612

OverviewOther

Other InhibitorOther SubstrateOther Inducer
Tox targets

Tox targets

TargetModalityActivityMetaboliteClinical evidence
hERG
1647
Sourcing

Sourcing

Vendor/AggregatorIDURL
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

PubMed

TitleDatePubMed
A reversed phase HPLC assay for the simultaneous quantitation of non-ionic and ionic surfactants in bioprocess intermediates.
2006 Mar 3
Rational development of taste masked oral liquids guided by an electronic tongue.
2010 Nov 15
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
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:02:36 GMT 2023
Edited
by admin
on Fri Dec 15 16:02:36 GMT 2023
Record UNII
4AZL56CU0F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOMIPHEN
VANDF   WHO-DD  
Common Name English
1-DODECANAMINIUM, N,N-DIMETHYL-N-(2-PHENOXYETHYL)
Common Name English
Domiphen [WHO-DD]
Common Name English
DODECYLDIMETHYL(2-PHENOXYETHYL)AMMONIUM
Systematic Name English
DOMIPHEN [VANDF]
Common Name English
DOMIPHEN CATION
Common Name English
DOMIPHEN ION
Common Name English
PHENODODECINIUM
Common Name English
(.BETA.-PHENOXYETHYL)DIMETHYLDODECYLAMMONIUM
Systematic Name English
Classification Tree Code System Code
WHO-VATC QA01AB06
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
NCI_THESAURUS C83486
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
WHO-ATC A01AB06
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
Code System Code Type Description
MESH
C007556
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
EVMPD
SUB01814MIG
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
CAS
13900-14-6
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
RXCUI
23623
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY RxNorm
SMS_ID
100000087524
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
WIKIPEDIA
Domiphen
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
PUBCHEM
3149
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
NCI_THESAURUS
C83684
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
DRUG CENTRAL
4463
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
DRUG BANK
DB11594
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID2048080
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
DAILYMED
4AZL56CU0F
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
FDA UNII
4AZL56CU0F
Created by admin on Fri Dec 15 16:02:37 GMT 2023 , Edited by admin on Fri Dec 15 16:02:37 GMT 2023
PRIMARY
Related Record Type Details
Structure of DOMIPHEN BROMIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of DOMIPHEN
ACTIVE MOIETY
NIH
NCATS
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ACCESSIBILITY
DISCLAIMER
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