Tocopherylquinone

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

Identification

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Name
Tocopherylquinone
Accession Number
DB14094
Type
Small Molecule
Groups
Experimental, Investigational
Description
Not Available
Structure
Thumb
Synonyms
  • alpha-Tocopherol quinone
  • alpha-Tocopherolquinone
  • alpha-Tocopheroquinone
  • alpha-Tocopherylquinone
  • alpha-Tocoquinone
  • ATQ
  • Metarene
  • Vitamin E quinone
External IDs
A-0001 / A0001 / EPIA-0001
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
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)KitWOMENS CHOICE PHARMACEUTICALS LLC2011-02-01Not applicableUs
Categories
UNII
ZO763K43XR
CAS number
7559-04-8
Weight
Average: 446.7055
Monoisotopic: 446.375995466
Chemical Formula
C29H50O3
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

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(1,2,6,7-3H)TestosteroneThe therapeutic efficacy of Tocopherylquinone can be increased when used in combination with (1,2,6,7-3H)Testosterone.
(R)-warfarinThe risk or severity of bleeding can be increased when Tocopherylquinone is combined with (R)-warfarin.
(S)-WarfarinThe risk or severity of bleeding can be increased when Tocopherylquinone is combined with (S)-Warfarin.
1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid1-(3-Mercapto-2-Methyl-Propionyl)-Pyrrolidine-2-Carboxylic Acid may increase the hypotensive activities of Tocopherylquinone.
1-benzylimidazole1-benzylimidazole may decrease the antihypertensive activities of Tocopherylquinone.
1-TestosteroneThe therapeutic efficacy of Tocopherylquinone can be increased when used in combination with 1-Testosterone.
18-methyl-19-nortestosteroneThe therapeutic efficacy of Tocopherylquinone can be increased when used in combination with 18-methyl-19-nortestosterone.
2,5-Dimethoxy-4-ethylamphetamine2,5-Dimethoxy-4-ethylamphetamine may decrease the antihypertensive activities of Tocopherylquinone.
2,5-Dimethoxy-4-ethylthioamphetamine2,5-Dimethoxy-4-ethylthioamphetamine may decrease the antihypertensive activities of Tocopherylquinone.
3,5-diiodothyropropionic acid3,5-diiodothyropropionic acid may increase the anticoagulant activities of Tocopherylquinone.
Additional Data Available
  • Extended Description
    Extended Description

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  • Severity
    Severity

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  • Evidence Level
    Evidence Level

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  • Action
    Action

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Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
2015844
BindingDB
50041386
ChEMBL
CHEMBL1223852
HET
VTQ
PDB Entries
1olm

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentFriedreich's Ataxia1
2TerminatedTreatmentNeuromuscular Diseases1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
Kit
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
Not Available

Taxonomy

Classification
Not classified

Drug created on June 18, 2018 12:12 / Updated on May 01, 2019 11:57