This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Deulinoleate ethyl
- DrugBank Accession Number
- DB16949
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Deulinoleate ethyl (DB16949)
- 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
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
- 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
- External Links
- ChemSpider
- 64853828
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Recruiting Treatment Amyotrophic Lateral Sclerosis (ALS) 1 2 Recruiting Treatment Progressive Supranuclear Palsy (PSP) 1
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
Property Value Source Water Solubility 4.13e-05 mg/mL ALOGPS logP 7.21 ALOGPS logP 6.92 Chemaxon logS -6.9 ALOGPS pKa (Strongest Basic) -7 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 1 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.3 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 98.04 m3·mol-1 Chemaxon Polarizability 40.14 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 14, 2022 19:03 / Updated at October 05, 2023 17:34