NAV

gamma-Tocopherol

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

Identification

Generic Name
gamma-Tocopherol
DrugBank Accession Number
DB15394
Background

gamma-Tocopherol is under investigation in clinical trial NCT00836368 (In Vitro Basophil Responsiveness to Allergen Challenge After Gamma-tocopherol Supplementation in Allergic Asthmatics).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 416.6795
Monoisotopic: 416.36543078
Chemical Formula
C28H48O2
Synonyms
  • D-gamma-Tocopherol
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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 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.
DrugInteraction
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interactions in your software
OrlistatOrlistat can cause a decrease in the absorption of gamma-Tocopherol resulting in a reduced serum concentration and potentially a decrease in efficacy.
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
8EF1Z1238F
CAS number
54-28-4
InChI Key
QUEDXNHFTDJVIY-DQCZWYHMSA-N
InChI
InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
IUPAC Name
(2R)-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-ol
SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2

References

General References
Not Available
KEGG Compound
C02483
ChemSpider
83708
RxNav
2368126
ChEBI
18185
ChEMBL
CHEMBL2151591
ZINC
ZINC000004284471
Wikipedia
Gamma-Tocopherol

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount

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 Solubility7.37e-06 mg/mLALOGPS
logP8.81ALOGPS
logP9.99Chemaxon
logS-7.8ALOGPS
pKa (Strongest Acidic)10.47Chemaxon
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area29.46 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity130.33 m3·mol-1Chemaxon
Polarizability54.12 Å3Chemaxon
Number of Rings2Chemaxon
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
GC-MS Spectrum - GC-MS (1 TMS)GC-MSsplash10-00di-2290200000-ca2e59769b7f9d283302
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9333500000-268e100b7b4ff1ca50ab
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0000900000-0e1700efabba731609de
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014j-0901400000-6c150720be8689af9b4f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ck9-9233000000-77aac1559ed6e0ce5a0a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01pk-2944000000-4c1f98a6402c1158a83b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0apl-9520000000-ce3d2e4d1ec25a95fc63
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]-226.4940469
predicted
DarkChem Lite v0.1.0
[M-H]-232.3438469
predicted
DarkChem Lite v0.1.0
[M-H]-226.8563469
predicted
DarkChem Lite v0.1.0
[M-H]-206.62073
predicted
DeepCCS 1.0 (2019)
[M+H]+225.8716469
predicted
DarkChem Lite v0.1.0
[M+H]+230.6198469
predicted
DarkChem Lite v0.1.0
[M+H]+232.7490469
predicted
DarkChem Lite v0.1.0
[M+H]+208.97873
predicted
DeepCCS 1.0 (2019)
[M+Na]+227.0701469
predicted
DarkChem Lite v0.1.0
[M+Na]+232.0948469
predicted
DarkChem Lite v0.1.0
[M+Na]+215.07188
predicted
DeepCCS 1.0 (2019)

Drug created at May 20, 2019 15:24 / Updated at June 12, 2020 16:53