Tricaprylin

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

Identification

Name
Tricaprylin
Accession Number
DB12176
Description

Tricaprilin has been used in trials studying the supportive care and treatment of Alzheimer's Disease.

Type
Small Molecule
Groups
Investigational
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Structure
Thumb
Weight
Average: 470.6823
Monoisotopic: 470.360739332
Chemical Formula
C27H50O6
Synonyms
  • Caprylic acid triglyceride
  • Caprylic triglyceride
  • Glycerol tricaprylate
  • Glycerol trioctanoate
  • Tricaprilin
  • Tricaprylyl glycerin
  • Tricaprylyl glycerol
External IDs
  • AC-1202
  • AC-1204
  • Miglyol 808

Pharmacology

Indication
Not Available
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
Affected organisms
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Glycerolipids
Sub Class
Triradylcglycerols
Direct Parent
Triacylglycerols
Alternative Parents
Tricarboxylic acids and derivatives / Fatty acid esters / Carboxylic acid esters / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic acyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Fatty acid ester / Fatty acyl / Hydrocarbon derivative / Organic oxide / Organic oxygen compound / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
octanoate ester, triglyceride (CHEBI:76978) / Triacylglycerols (C13044)

Chemical Identifiers

UNII
6P92858988
CAS number
538-23-8
InChI Key
VLPFTAMPNXLGLX-UHFFFAOYSA-N
InChI
InChI=1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3
IUPAC Name
1,3-bis(octanoyloxy)propan-2-yl octanoate
SMILES
[H]C(COC(=O)CCCCCCC)(COC(=O)CCCCCCC)OC(=O)CCCCCCC

References

General References
Not Available
Human Metabolome Database
HMDB0011187
PubChem Compound
10850
PubChem Substance
347828463
ChemSpider
10393
RxNav
1314420
ChEBI
76978
ChEMBL
CHEMBL1406148
ZINC
ZINC000008214697
Wikipedia
Axona

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingTreatmentAlzheimer's Disease (AD)1
2CompletedTreatmentAge-Associated Memory Impairment (AAMI)1
2CompletedTreatmentAlzheimer's Disease (AD)1
2Not Yet RecruitingPreventionMigraine1
2, 3CompletedSupportive CareAlzheimer's Disease (AD)1
2, 3WithdrawnTreatmentAlzheimer's Disease (AD)1
1CompletedNot AvailableHealthy Volunteers1
1CompletedBasic ScienceAlzheimer's Disease (AD)3
1CompletedOtherHealthy Volunteers3
1CompletedOtherTaste Profile Assessments1

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 Solubility6.36e-05 mg/mLALOGPS
logP7.41ALOGPS
logP8.25ChemAxon
logS-6.9ALOGPS
pKa (Strongest Basic)-6.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area78.9 Å2ChemAxon
Rotatable Bond Count26ChemAxon
Refractivity130.87 m3·mol-1ChemAxon
Polarizability57.31 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 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

Drug created on October 20, 2016 15:32 / Updated on June 12, 2020 10:53

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