Tocopherylquinone

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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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.
DrugInteraction
AbaloparatideAbaloparatide may increase the hypotensive activities of Tocopherylquinone.
AbciximabThe risk or severity of bleeding can be increased when Abciximab is combined with Tocopherylquinone.
AcebutololAcebutolol may increase the hypotensive activities of Tocopherylquinone.
AceclofenacThe risk or severity of bleeding and hemorrhage can be increased when Aceclofenac is combined with Tocopherylquinone.
AcemetacinThe 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

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Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
NESTABS DHA Prenatal Multi-vitamin/Mineral Supplement with DHA/EPATocopherylquinone (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; TabletOralWOMENS CHOICE PHARMACEUTICALS LLC2011-02-01Not applicableUS flag

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
ChemSpider
2015844
BindingDB
50041386
RxNav
1376149
ChEMBL
CHEMBL1223852
ZINC
ZINC000008214693
PDBe Ligand
VTQ
PDB Entries
1olm

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentFriedreich's Ataxia1
2TerminatedTreatmentNeuromuscular Disorders1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Capsule, gelatin coated; kit; tabletOral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000414 mg/mLALOGPS
logP7.09ALOGPS
logP9.03Chemaxon
logS-6ALOGPS
pKa (Strongest Acidic)19.44Chemaxon
pKa (Strongest Basic)-0.86Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area54.37 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity137.43 m3·mol-1Chemaxon
Polarizability56.76 Å3Chemaxon
Number of Rings1Chemaxon
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/MSsplash10-00vj-4343900000-9dbe5e68b87290698332
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0000900000-d9cd323dbcab7c3a98eb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01r2-3613900000-d61b23f8481dd64eed67
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-07vi-5925400000-34565f2715d5b8fcbec2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03fr-0920200000-9e4a1def2dcd7051569b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0cdi-7961000000-6b28b43bf1c7699a8000
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-237.2944339
predicted
DarkChem Lite v0.1.0
[M-H]-212.52795
predicted
DeepCCS 1.0 (2019)
[M+H]+238.2574339
predicted
DarkChem Lite v0.1.0
[M+H]+214.92354
predicted
DeepCCS 1.0 (2019)
[M+Na]+237.9344339
predicted
DarkChem Lite v0.1.0
[M+Na]+220.83604
predicted
DeepCCS 1.0 (2019)

Drug created at June 18, 2018 18:12 / Updated at July 11, 2020 03:43