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Deulinoleate ethyl

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

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Identification

Generic Name
Deulinoleate ethyl
DrugBank Accession Number
DB16949
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 310.518
Monoisotopic: 310.284083891
Chemical Formula
C20H36O2
Synonyms
  • 9-cis, 12-cis-11,11-d2-linoleic acid ethyl ester
  • 9-cis,12-cis-11,11-D2-linoleic acid ethyl ester
  • 9,12-octadecadienoic-11,11-d2 acid, ethyl ester, (9z,12z)-
  • Di-deuterated linoleic acid
  • ethyl (9Z,12Z)-octadeca-9,12-dienoate-11,11-d2
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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
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
24B102R86P
CAS number
1404475-07-5
InChI Key
FMMOOAYVCKXGMF-XMCVDNGOSA-N
InChI
InChI=1S/C20H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h8-9,11-12H,3-7,10,13-19H2,1-2H3/b9-8-,12-11-/i10D2
IUPAC Name
ethyl (9Z,12Z)-(11,11-2H2)octadeca-9,12-dienoate
SMILES
[2H]C([2H])(\C=C/CCCCC)\C=C/CCCCCCCC(=O)OCC

References

General References
Not Available
ChemSpider
64853828

Clinical Trials

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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 Solubility4.13e-05 mg/mLALOGPS
logP7.21ALOGPS
logP6.92Chemaxon
logS-6.9ALOGPS
pKa (Strongest Basic)-7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area26.3 Å2Chemaxon
Rotatable Bond Count16Chemaxon
Refractivity98.04 m3·mol-1Chemaxon
Polarizability40.14 Å3Chemaxon
Number of Rings0Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 14, 2022 19:03 / Updated at October 05, 2023 17:34