NAV

Thioctamide

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

Identification

Summary

Thioctamide is an ingredient in nutritional products for liver health.

Generic Name
Thioctamide
DrugBank Accession Number
DB15963
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 205.33
Monoisotopic: 205.059506455
Chemical Formula
C8H15NOS2
Synonyms
  • Lipoamide
  • Thioctic acid amide
External IDs
  • 213-375-2
  • NSC-90787
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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.
Not Available
Food Interactions
Not Available

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
ไลโปคอลThioctamide (3.5 mg) + Ascorbic acid (30 mg) + Cyanocobalamin (0.001 mg) + Inositol (30 mg) + Nicotinamide (10 mg) + Orotic acid (30 mg) + Pantothenic acid (5 mg) + Pyridoxine hydrochloride (1 mg) + Racemethionine (50 mg) + Riboflavin (1 mg) + Thiamine mononitrate (2 mg)Tablet, sugar coatedOralบริษัท อินเตอร์ไทย ฟาร์มาซูติเคิ้ล แมนูแฟคเจอริ่ง จำกัด จำกัด2005-05-13Not applicableThailand flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
Q1GT04827L
CAS number
940-69-2
InChI Key
FCCDDURTIIUXBY-UHFFFAOYSA-N
InChI
InChI=1S/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)
IUPAC Name
5-(1,2-dithiolan-3-yl)pentanamide
SMILES
NC(=O)CCCCC1CCSS1

References

General References
  1. FDA Thailand: Lipochol (Ascorbic Acid, Cyanocobalamin, Inositol, Nicotinamide, Orotic Acid, Pantothenic Acid, Pyridoxine HCl, Racemethionine, Riboflavin, Thiamine Mononitrate, Thioctamide) Oral Tablet [Link]
Human Metabolome Database
HMDB0000962
KEGG Compound
C00248
ChemSpider
840
RxNav
1597391
ChEBI
17460
ChEMBL
CHEMBL1403899

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
FormRouteStrength
Tablet, sugar coatedOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.101 mg/mLALOGPS
logP2.3ALOGPS
logP1.31Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)16.45Chemaxon
pKa (Strongest Basic)-1.4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count1Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area43.09 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity56.19 m3·mol-1Chemaxon
Polarizability22.39 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-0a4i-0690000000-76628d00f4fc9718bc65
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0490000000-7f552b81b4719a54512b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-022i-1900000000-0644ec9c487b627b9505
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-5920000000-0a0f2cda4614dcbc87f1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-09df398d04b27dfb9dff
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-6ec1f7606ce02d531b8a
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]-147.7253174
predicted
DarkChem Lite v0.1.0
[M-H]-144.76567
predicted
DeepCCS 1.0 (2019)
[M+H]+148.6483174
predicted
DarkChem Lite v0.1.0
[M+H]+147.35966
predicted
DeepCCS 1.0 (2019)
[M+Na]+147.7731174
predicted
DarkChem Lite v0.1.0
[M+Na]+156.14268
predicted
DeepCCS 1.0 (2019)

Drug created at November 26, 2020 22:40 / Updated at May 07, 2021 21:09