Tocopherylquinone
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Tocopherylquinone
- DrugBank Accession Number
- DB14094
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
- Weight
- Average: 446.7055
Monoisotopic: 446.375995466 - Chemical Formula
- C29H50O3
- Synonyms
- alpha-Tocopherol quinone
- alpha-Tocopherolquinone
- alpha-Tocopheroquinone
- alpha-Tocopherylquinone
- alpha-Tocoquinone
- ATQ
- Metarene
- Vitamin E quinone
- External IDs
- A-0001
- A0001
- EPIA-0001
Pharmacology
- Indication
Not Available
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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
- 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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
- Not Available
Interactions
- Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbaloparatide Abaloparatide may increase the hypotensive activities of Tocopherylquinone. Abciximab The risk or severity of bleeding can be increased when Abciximab is combined with Tocopherylquinone. Acebutolol Acebutolol may increase the hypotensive activities of Tocopherylquinone. Aceclofenac The risk or severity of bleeding and hemorrhage can be increased when Aceclofenac is combined with Tocopherylquinone. Acemetacin The risk or severity of bleeding and hemorrhage can be increased when Tocopherylquinone is combined with Acemetacin. - Food Interactions
- Avoid herbs and supplements with anticoagulant/antiplatelet activity. Examples include garlic, ginger, bilberry, danshen, piracetam, and ginkgo biloba.
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image NESTABS DHA Prenatal Multi-vitamin/Mineral Supplement with DHA/EPA Tocopherylquinone (30 [iU]/1) + Calcium carbonate (45 mg/1) + Cholecalciferol (450 [iU]/1) + Choline bitartrate (55 mg/1) + Cyanocobalamin (10 ug/1) + Doconexent (230 mg/1) + Ferrous bisglycinate (32 mg/1) + Folic acid (1 mg/1) + Calcium formate (155 mg/1) + Icosapent (30 mg/1) + Nicotinamide (20 mg/1) + Potassium Iodide (100 ug/1) + Pyridoxine hydrochloride (50 mg/1) + Riboflavin (3 mg/1) + Sodium ascorbate (120 mg/1) + Thiamine mononitrate (3 mg/1) + Vitamin E (2 [iU]/1) + Zinc oxide (10 mg/1) Capsule, gelatin coated; Kit; Tablet Oral WOMENS CHOICE PHARMACEUTICALS LLC 2011-02-01 Not applicable US
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- ZO763K43XR
- CAS number
- 7559-04-8
- InChI Key
- LTVDFSLWFKLJDQ-IEOSBIPESA-N
- InChI
- InChI=1S/C29H50O3/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8,32)19-17-26-25(7)27(30)23(5)24(6)28(26)31/h20-22,32H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
- IUPAC Name
- 2-[(3R,7R,11R)-3-hydroxy-3,7,11,15-tetramethylhexadecyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
- SMILES
- CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 2015844
- BindingDB
- 50041386
- 1376149
- ChEMBL
- CHEMBL1223852
- ZINC
- ZINC000008214693
- PDBe Ligand
- VTQ
- PDB Entries
- 1olm
Clinical Trials
- Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count 2 Completed Treatment Friedreich's Ataxia 1 2 Terminated Treatment Neuromuscular Disorders 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Capsule, gelatin coated; kit; tablet Oral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.000414 mg/mL ALOGPS logP 7.09 ALOGPS logP 9.03 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 19.44 Chemaxon pKa (Strongest Basic) -0.86 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 54.37 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 137.43 m3·mol-1 Chemaxon Polarizability 56.76 Å3 Chemaxon Number of Rings 1 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 splash10-00vj-4343900000-9dbe5e68b87290698332 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0000900000-d9cd323dbcab7c3a98eb Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01r2-3613900000-d61b23f8481dd64eed67 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-07vi-5925400000-34565f2715d5b8fcbec2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-03fr-0920200000-9e4a1def2dcd7051569b Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0cdi-7961000000-6b28b43bf1c7699a8000 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 237.2944339 predictedDarkChem Lite v0.1.0 [M-H]- 212.52795 predictedDeepCCS 1.0 (2019) [M+H]+ 238.2574339 predictedDarkChem Lite v0.1.0 [M+H]+ 214.92354 predictedDeepCCS 1.0 (2019) [M+Na]+ 237.9344339 predictedDarkChem Lite v0.1.0 [M+Na]+ 220.83604 predictedDeepCCS 1.0 (2019)
Drug created at June 18, 2018 18:12 / Updated at July 11, 2020 03:43