This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Tricaprylin
- DrugBank Accession Number
- DB12176
- Background
Tricaprilin has been used in trials studying the supportive care and treatment of Alzheimer's Disease.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Tricaprylin (DB12176)
- 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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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
- 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)
- Affected organisms
- Not Available
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
- External Links
- Human Metabolome Database
- HMDB0011187
- PubChem Compound
- 10850
- PubChem Substance
- 347828463
- ChemSpider
- 10393
- 1314420
- ChEBI
- 76978
- ChEMBL
- CHEMBL1406148
- ZINC
- ZINC000008214697
- Wikipedia
- Axona
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Withdrawn Treatment Alzheimer's Disease (AD) 1 2 Completed Prevention Migraine 1 2 Completed Treatment Age-Associated Memory Impairment (AAMI) 1 2 Completed Treatment Alzheimer's Disease (AD) 1 2, 3 Completed Supportive Care Alzheimer's Disease (AD) 1 2, 3 Withdrawn Treatment Alzheimer's Disease (AD) 1 1 Active Not Recruiting Treatment Infantile Spasms (IS) 1 1 Completed Not Available Healthy Subjects (HS) 1 1 Completed Basic Science Alzheimer's Disease (AD) 3 1 Completed Other Healthy Subjects (HS) 3
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 6.36e-05 mg/mL ALOGPS logP 7.41 ALOGPS logP 8.25 Chemaxon logS -6.9 ALOGPS pKa (Strongest Basic) -6.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 78.9 Å2 Chemaxon Rotatable Bond Count 26 Chemaxon Refractivity 130.87 m3·mol-1 Chemaxon Polarizability 57.3 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 21:32 / Updated at May 01, 2022 19:59