NAV

Tocopheryl nicotinate

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

Identification

Summary

Tocopheryl nicotinate is a vitamin E supplement indicated in the treatment of high cholesterol and narrowing of peripheral arteries.

Generic Name
Tocopheryl nicotinate
DrugBank Accession Number
DB15921
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 535.813
Monoisotopic: 535.402544571
Chemical Formula
C35H53NO3
Synonyms
  • Alpha-tocopheryl nicotinate
  • Tocoferil nicotinate
  • Tocopherol nicotinate
  • Vitamin E nicotinate
  • Vitamin E nicotinic acid ester
External IDs
  • 256-101-7
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Pharmacology

Indication

Not Available

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Associated Conditions
Indication TypeIndicationCombined Product DetailsApproval LevelAge GroupPatient CharacteristicsDose Form
Treatment ofHigh cholesterol••• ••••••••••
Treatment ofPeripheral arterial occlusion••• ••••••••••
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.
Not Available
Food Interactions
Not Available

Products

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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
HIJUVEN 200 SOFT CAPSULECapsuleOralEISAI (MALAYSIA) SDN BHD (18039-D)2020-09-08Not applicableMalaysia flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
WI1J5UCY5C
CAS number
43119-47-7
InChI Key
MSCCTZZBYHQMQJ-AZAGJHQNSA-N
InChI
InChI=1S/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3/t25-,26-,35-/m1/s1
IUPAC Name
(2R)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl pyridine-3-carboxylate
SMILES
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(OC(=O)C1=CC=CN=C1)=C2C

References

General References
  1. NPRA: Hijuven (Tocopheryl Nicotinate) Oral Capsule [Link]
KEGG Compound
C12981
ChemSpider
26036
RxNav
1359091
ChEBI
32239
ChEMBL
CHEMBL1084541
ZINC
ZINC000004654831

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
4CompletedTreatmentMenière's Disease / Vertigo1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CapsuleOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility2.15e-06 mg/mLALOGPS
logP9.13ALOGPS
logP11.26Chemaxon
logS-8.4ALOGPS
pKa (Strongest Basic)3.21Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area48.42 Å2Chemaxon
Rotatable Bond Count15Chemaxon
Refractivity163.04 m3·mol-1Chemaxon
Polarizability67.08 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0089-0600590000-36dd12f6edfb6f78f5b3
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-052r-5532390000-bcbcf9d9f0797bb31f69
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0059-6180790000-1d316dac6d040bc297af
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9210410000-1dc085b369ebb8420c03
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-9200210000-726e7d3856310cff176f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9310100000-6168686128a8060b7be3
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-259.2317241
predicted
DarkChem Lite v0.1.0
[M-H]-266.6179241
predicted
DarkChem Lite v0.1.0
[M-H]-239.41284
predicted
DeepCCS 1.0 (2019)
[M+H]+260.3347241
predicted
DarkChem Lite v0.1.0
[M+H]+266.0078241
predicted
DarkChem Lite v0.1.0
[M+H]+241.30826
predicted
DeepCCS 1.0 (2019)
[M+Na]+260.4727241
predicted
DarkChem Lite v0.1.0
[M+Na]+266.6156241
predicted
DarkChem Lite v0.1.0
[M+Na]+247.14091
predicted
DeepCCS 1.0 (2019)

Drug created at November 23, 2020 17:43 / Updated at May 07, 2021 21:08