NAV

Ocrylate

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

Identification

Generic Name
Ocrylate
DrugBank Accession Number
DB15086
Background

Ocrylate is under investigation in clinical trial NCT01918059 (Cosmetic Outcome Study of Lid Laceration Repair With Suture Versus Tissue Adhesive).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 209.2848
Monoisotopic: 209.141578857
Chemical Formula
C12H19NO2
Synonyms
  • Ocrylate
  • OCTYL-2-CYANOACRYLATE
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Pharmacology

Indication

Not Available

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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
6C655P1XVG
CAS number
6701-17-3
InChI Key
RPQUGMLCZLGZTG-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NO2/c1-3-4-5-6-7-8-9-15-12(14)11(2)10-13/h2-9H2,1H3
IUPAC Name
octyl 2-cyanoprop-2-enoate
SMILES
CCCCCCCCOC(=O)C(=C)C#N

References

General References
Not Available
ChemSpider
21678
ChEMBL
CHEMBL2105181

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0204 mg/mLALOGPS
logP4.14ALOGPS
logP3.83Chemaxon
logS-4ALOGPS
pKa (Strongest Basic)-7.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area50.09 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity59.39 m3·mol-1Chemaxon
Polarizability24.58 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f89-9110000000-ffee164faa5737346bee
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-052b-9070000000-cf3228e700c34a507c65
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-9000000000-def876d16709e367d213
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6t-9000000000-9abaf00691dee75bc52d
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-9000000000-af148860af7badf0b79f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ue9-9100000000-318a0e467da2a36901d9
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-162.0053632
predicted
DarkChem Lite v0.1.0
[M-H]-154.46416
predicted
DeepCCS 1.0 (2019)
[M+H]+162.5925632
predicted
DarkChem Lite v0.1.0
[M+H]+158.3231
predicted
DeepCCS 1.0 (2019)
[M+Na]+162.2657632
predicted
DarkChem Lite v0.1.0
[M+Na]+167.66518
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 14:48 / Updated at February 21, 2021 18:55