Octenidine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Summary

Octenidine is an antiseptic agent used topically, on mucous membranes, and prior to surgery.

Generic Name
Octenidine
DrugBank Accession Number
DB12624
Background

Octenidine is under investigation in clinical trial NCT02697162 (Antiseptic-coated Intermittent Urinary Catheter).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 550.92
Monoisotopic: 550.497448012
Chemical Formula
C36H62N4
Synonyms
  • Octenidine

Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Treatment ofInflammation of mouth••• ••••••••••
Associated Therapies
Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Octenidine dihydrochlorideU84956NU4B70775-75-6SMGTYJPMKXNQFY-UHFFFAOYSA-N
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Linola sept 1 mg/g + 10 mg/g Wund-GelOctenidine dihydrochloride (1 mg/g) + Phenoxyethanol (10 mg/g)GelTopicalDr. August Wolff Gmb H & Co. Kg Arzneimittel2015-03-23Not applicableAustria flag
Linola sept 1 mg/g + 20 mg/g Wund-Spray zur Anwendung auf der Haut, LösungOctenidine dihydrochloride (1 mg/g) + Phenoxyethanol (20 mg/g)SprayTopicalDr. August Wolff Gmb H & Co. Kg Arzneimittel2015-03-23Not applicableAustria flag
Octeniderm - Lösung zur HautdesinfektionOctenidine dihydrochloride (0.1 g) + Isopropyl alcohol (45 g) + Propyl alcohol (30 g)SolutionTopicalSchulke & Mayr Gmb H2002-02-18Not applicableAustria flag
Octenisept - Lösung zur Wund- und SchleimhautdesinfektionOctenidine dihydrochloride (0.1 %) + Phenoxyethanol (2 %)SolutionTopicalSchulke & Mayr Gmb H1994-02-15Not applicableAustria flag
OCTENISEPT ÇÖZELTI, 1000 MLOctenidine dihydrochloride (0.1 g) + Phenoxyethanol (2 g)SolutionTopicalFARMAKİM İLAÇ KİMYA GIDA ÜRÜNLERİ ÜRETİM SAN.VE DIŞ TİC. A.Ş.2020-08-14Not applicableTurkey flag

Categories

ATC Codes
G01AX66 — Octenidine, combinationsA01AB24 — OctenidineR02AA21 — OctenidineD08AJ57 — Octenidine, combinations
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Hydropyridines
Direct Parent
Dihydropyridines
Alternative Parents
Secondary ketimines / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Aromatic heteromonocyclic compound / Azacycle / Dihydropyridine / Heteroaromatic compound / Hydrocarbon derivative / Organic nitrogen compound / Organonitrogen compound / Organopnictogen compound / Secondary ketimine
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
OZE0372S5A
CAS number
71251-02-0
InChI Key
ZVXNYZWXUADSRV-UHFFFAOYSA-N
InChI
InChI=1S/C36H62N4/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2/h23-26,31-34H,3-22,27-30H2,1-2H3
IUPAC Name
N-(1-{10-[4-(octylimino)-1,4-dihydropyridin-1-yl]decyl}-1,4-dihydropyridin-4-ylidene)octan-1-amine
SMILES
CCCCCCCCN=C1C=CN(CCCCCCCCCCN2C=CC(C=C2)=NCCCCCCCC)C=C1

References

General References
  1. BASG Product Information: Octenidine oral lozenge [Link]
  2. TITCK Product Information: Oseptin (octenidine dihydrochloride) oral solution [Link]
  3. TITCK Product Information: Octenisept (octenidine/phenoxyethanol) topical solution [Link]
PubChem Compound
51167
PubChem Substance
347828836
ChemSpider
46371
RxNav
2119240
ChEBI
135826
ChEMBL
CHEMBL1199480
ZINC
ZINC000008214632
Wikipedia
Octenidine_dihydrochloride

Clinical Trials

Clinical Trials

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
GelTopical
SprayTopical
Pastille2.6 mg
SolutionOral1 mg/ml
SolutionTopical
SolutionTopical0.1 %
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.6e-05 mg/mLALOGPS
logP8.23ALOGPS
logP11.06Chemaxon
logS-7.3ALOGPS
pKa (Strongest Basic)10.89Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area31.2 Å2Chemaxon
Rotatable Bond Count25Chemaxon
Refractivity179.43 m3·mol-1Chemaxon
Polarizability75.45 Å3Chemaxon
Number of Rings2Chemaxon
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/MSsplash10-0udi-0000090000-e5d0e32599b2ed9f9657
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0000090000-7ee51944d43449b3b461
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dj-0200190000-05836f7b124efec8c0d9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ufr-0200950000-be3b87b112b21891cdea
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-05dl-1134970000-48efdc0e1c58804eb66a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0206910000-6b8967cc8cc9c24db99b
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-247.88316
predicted
DeepCCS 1.0 (2019)
[M+H]+250.55974
predicted
DeepCCS 1.0 (2019)
[M+Na]+257.7782
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 23:17 / Updated at June 08, 2021 11:32