Hexetidine

Identification

Name
Hexetidine
Accession Number
DB08958
Type
Small Molecule
Groups
Approved, Investigational
Description

A bactericidal and fungicidal antiseptic. It is used as a 0.1% mouthwash for local infections and oral hygiene.

Structure
Thumb
Synonyms
  • Esetidina
  • Hexetidina
  • Hexétidine
  • Hexetidine
  • Hexetidinum
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Steri/sol LiquidLiquidBuccalJohnson & Johnson1992-12-312013-07-31Canada
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

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  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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International/Other Brands
Actigrip Gola (Johnson & Johnson) / Bactidol (Johnson & Johnson) / Belosept (Belupo) / Collu-Hextril (Johnson & Johnson) / Hexoral (Johnson & Johnson) / Hextril (Bristol-Myers Squibb) / Isozid-H (Gebro) / Oraldene (McNeil) / Oraldine (Johnson & Johnson) / Steri/Sol (Johnson & Johnson) / Stomatidin (Bosnalijek) / Stopangin (Ivax) / Vagi-Hex (Drossapharm)
Categories
UNII
852A84Y8LS
CAS number
141-94-6
Weight
Average: 339.6021
Monoisotopic: 339.361348455
Chemical Formula
C21H45N3
InChI Key
DTOUUUZOYKYHEP-UHFFFAOYSA-N
InChI
InChI=1S/C21H45N3/c1-6-10-12-19(8-3)14-23-16-21(5,22)17-24(18-23)15-20(9-4)13-11-7-2/h19-20H,6-18,22H2,1-5H3
IUPAC Name
1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine
SMILES
CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
(R)-warfarinThe therapeutic efficacy of (R)-warfarin can be increased when used in combination with Hexetidine.
(S)-WarfarinThe therapeutic efficacy of (S)-Warfarin can be increased when used in combination with Hexetidine.
4-hydroxycoumarinThe therapeutic efficacy of 4-hydroxycoumarin can be increased when used in combination with Hexetidine.
AcenocoumarolThe therapeutic efficacy of Acenocoumarol can be increased when used in combination with Hexetidine.
ClorindioneThe therapeutic efficacy of Clorindione can be increased when used in combination with Hexetidine.
CoumarinThe therapeutic efficacy of Coumarin can be increased when used in combination with Hexetidine.
DicoumarolThe therapeutic efficacy of Dicoumarol can be increased when used in combination with Hexetidine.
DiphenadioneThe therapeutic efficacy of Diphenadione can be increased when used in combination with Hexetidine.
Ethyl biscoumacetateThe therapeutic efficacy of Ethyl biscoumacetate can be increased when used in combination with Hexetidine.
FluindioneThe therapeutic efficacy of Fluindione can be increased when used in combination with Hexetidine.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

Synthesis Reference

U.S. Patent 3,054,797.

General References
  1. Afennich F, Slot DE, Hossainian N, Van der Weijden GA: The effect of hexetidine mouthwash on the prevention of plaque and gingival inflammation: a systematic review. Int J Dent Hyg. 2011 Aug;9(3):182-90. doi: 10.1111/j.1601-5037.2010.00478.x. Epub 2010 Sep 6. [PubMed:21356020]
  2. Satzinger G, Herrmann W, Zimmermann F: [Analytical profile of purified hexetidine (author's transl)]. Arzneimittelforschung. 1975;25(12):1849-53. [PubMed:3183]
External Links
KEGG Drug
D07068
PubChem Compound
3607
PubChem Substance
310264923
ChemSpider
3481
RxNav
5301
ChEBI
94339
ChEMBL
CHEMBL144673
Drugs.com
Drugs.com Drug Page
Wikipedia
Hexetidine
ATC Codes
G01AX16 — HexetidineA01AB12 — Hexetidine
MSDS
Download (338 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedPreventionMouthwash / Oral Biofilm / Periodontitis1
4CompletedSupportive CareOral Mucositis1
4Unknown StatusBasic ScienceGingivitis / Oral Biofilm / Periodontitis1
Not AvailableCompletedPreventionBacteremia1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
LiquidBuccal
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00594 mg/mLALOGPS
logP4.98ALOGPS
logP5.74ChemAxon
logS-4.8ALOGPS
pKa (Strongest Basic)9.12ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area32.5 Å2ChemAxon
Rotatable Bond Count12ChemAxon
Refractivity107.4 m3·mol-1ChemAxon
Polarizability44.07 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0a4i-2900000000-8471a8c759f783c56515

Taxonomy

Description
This compound belongs to the class of organic compounds known as diazinanes. These are organic compounds containing diazinane, a six-membered saturated heterocycle containing four carbon atoms and two nitrogen atoms.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazinanes
Sub Class
Not Available
Direct Parent
Diazinanes
Alternative Parents
Azacyclic compounds / Aminals / Organopnictogen compounds / Monoalkylamines / Hydrocarbon derivatives
Substituents
1,3-diazinane / Azacycle / Aminal / Organic nitrogen compound / Organopnictogen compound / Hydrocarbon derivative / Primary amine / Organonitrogen compound / Primary aliphatic amine / Amine
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on May 28, 2014 14:30 / Updated on June 12, 2020 10:52

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