NAV

(12R)-12-hydroxyeicosapentaenoic acid

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

Identification

Generic Name
(12R)-12-hydroxyeicosapentaenoic acid
DrugBank Accession Number
DB15571
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 318.457
Monoisotopic: 318.219494826
Chemical Formula
C20H30O3
Synonyms
Not Available
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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

Products

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Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Luvira(12R)-12-hydroxyeicosapentaenoic acid (465 mg/1) + Doconexent (375 mg/1) + Omega-3 fatty acids (1220 mg/1)CapsuleOralSterling-Knight Pharmaceuticals, LLC2020-01-17Not applicableUS flag
Luvira(12R)-12-hydroxyeicosapentaenoic acid (465 mg/1) + Doconexent (375 mg/1) + Omega-3-acid ethyl esters (1220 mg/1)CapsuleOralSterling-Knight Pharmaceuticals, LLC2019-11-072020-01-17US flag

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
78P2ZC128S
CAS number
109430-12-8
InChI Key
MCRJLMXYVFDXLS-IHWYZUJNSA-N
InChI
InChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
IUPAC Name
(5Z,8Z,10E,12R,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid
SMILES
CC\C=C/C\C=C/C[C@@H](O)\C=C\C=C/C\C=C/CCCC(O)=O

References

General References
Not Available
ChemSpider
4446312
RxNav
2261372
ZINC
ZINC000014449721

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CapsuleOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00305 mg/mLALOGPS
logP5.54ALOGPS
logP4.99Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)4.89Chemaxon
pKa (Strongest Basic)-1.6Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area57.53 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity102.59 m3·mol-1Chemaxon
Polarizability37.19 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/MSsplash10-0fsi-1593000000-a518abec021988e39383
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0191000000-ed812f0482d9239b63ae
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05ar-1950000000-6be87de6ec65835b8556
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0aos-0793000000-ff28ac87c6476af2b62a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00lu-5920000000-1962452f309bc4c32557
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0290000000-dc30ef9c945a7ebe34e9
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 18, 2019 16:05 / Updated at June 12, 2020 16:53