NAV

Thiamine disulfide

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

Identification

Summary

Thiamine disulfide is a B-vitamin indicated to treat neurological conditions caused by B vitamin deficiency.

Generic Name
Thiamine disulfide
DrugBank Accession Number
DB15958
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 562.71
Monoisotopic: 562.214443955
Chemical Formula
C24H34N8O4S2
Synonyms
  • Thiamine disulfide
  • Vitamin B1 disulfide
External IDs
  • 200-644-4
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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
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.
Not Available
Food Interactions
Not Available

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Arca-Be DrageesThiamine disulfide (100 mg) + Cyanocobalamin (200 μg) + Pyridoxine hydrochloride (200 mg)Tablet, coatedOralArcana Arzneimittel Gmb H1995-08-23Not applicableAustria flag
NEUROBION TABLETThiamine disulfide (100 mg) + Cyanocobalamin (200 mcg) + Pyridoxine hydrochloride (200 mg)Tablet, sugar coatedOralPROCTER & GAMBLE (SINGAPORE ) PTE LTD1991-06-21Not applicableSingapore flag
NEUROBION TABLET (OTC)Thiamine disulfide (100 mg) + Cyanocobalamin (200 mcg) + Pyridoxine hydrochloride (200 mg)Tablet, sugar coatedOralPROCTER & GAMBLE (SINGAPORE ) PTE LTD2016-10-13Not applicableSingapore flag

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
UJV8K21YKL
CAS number
67-16-3
InChI Key
GFEGEDUIIYDMOX-BMJUYKDLSA-N
InChI
InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)/b21-15-,22-16-
IUPAC Name
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(2Z)-3-{[(2Z)-2-{N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamido}-5-hydroxypent-2-en-3-yl]disulfanyl}-5-hydroxypent-2-en-2-yl]formamide
SMILES
C\C(N(CC1=C(N)N=C(C)N=C1)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(CC1=C(N)N=C(C)N=C1)C=O

References

General References
  1. BASG: Arca-Be (Cyanocobalamin, Pyridoxine, Thiamine) Oral Tablet [Link]
ChemSpider
2301699
RxNav
38041
ChEMBL
CHEMBL416503
ZINC
ZINC000003873942

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Tablet, coatedOral
Tablet, sugar coatedOral
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.259 mg/mLALOGPS
logP0.9ALOGPS
logP-2.4Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)15.6Chemaxon
pKa (Strongest Basic)6.96Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area184.68 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity159.26 m3·mol-1Chemaxon
Polarizability56.97 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
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ot-0000090000-0483437975881a1983b8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-0594230000-bf6c114a5626e558d26f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pi1-0392050000-7e33d2afeca3d9520ed1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0ik9-1590020000-b9c37dd639dc907a98a4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0900010000-fbfd3fb80e585ec596fa
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-059f-9412230000-a81398cbbd5ee3273bcc
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at November 26, 2020 21:45 / Updated at May 07, 2021 21:09