2-octyl cyanoacrylate

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

Identification

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Name
2-octyl cyanoacrylate
Accession Number
DB12040
Type
Small Molecule
Groups
Investigational
Description

Dermabond has been investigated for the basic science of Wound Healing.

Structure
Thumb
Synonyms
  • 1-methylheptyl cyanoacrylate
  • 2-octylcyanoacrylate
  • Liquid bandage
International/Other Brands
Dermabond (Ethicon US, LLC.) / Indermil (Connexicon Medical Ltd) / Liquiband / Octylseal (Medline Industries, Inc.)
Categories
UNII
L23GHX71SK
CAS number
133978-15-1
Weight
Average: 209.289
Monoisotopic: 209.141578856
Chemical Formula
C12H19NO2
InChI Key
CQVWXNBVRLKXPE-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NO2/c1-4-5-6-7-8-11(3)15-12(14)10(2)9-13/h11H,2,4-8H2,1,3H3
IUPAC Name
octan-2-yl 2-cyanoprop-2-enoate
SMILES
CCCCCCC(C)OC(=O)C(=C)C#N

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9815689
PubChem Substance
347828351
ChemSpider
7991439
Wikipedia
2-Octyl_cyanoacrylate

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1WithdrawnBasic ScienceWound Healing1
4RecruitingPreventionGastrocutaneous Fistula1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0244 mg/mLALOGPS
logP4.1ALOGPS
logP3.8ChemAxon
logS-3.9ALOGPS
pKa (Strongest Basic)-7.2ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area50.09 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity59.21 m3·mol-1ChemAxon
Polarizability24.3 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as cyanoacrylates. These are organonitrogen compounds containing an acrylic acid ester, which carries a nitrile group. They have the general structure ROC(=O)C(=C)C#N, where R is an organic group.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Carboxylic acid derivatives
Direct Parent
Cyanoacrylates
Alternative Parents
Nitriles / Monocarboxylic acids and derivatives / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Cyanoacrylic acid ester / Nitrile / Carbonitrile / Monocarboxylic acid or derivatives / Organic nitrogen compound / Organic oxygen compound / Organopnictogen compound / Organic oxide / Hydrocarbon derivative / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:14 / Updated on June 04, 2019 07:30