NAV

Copper(II) dithiosemicarbazone

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

Identification

Generic Name
Copper(II) dithiosemicarbazone
DrugBank Accession Number
DB16963
Background

Not Available

Type
Small Molecule
Groups
Experimental, Investigational
Structure
Similar Structures
Weight
Average: 321.91
Monoisotopic: 321.001735
Chemical Formula
C8H14CuN6S2
Synonyms
  • Atsm copper (ii)
  • Copper, ((2,2'-(1,2-dimethyl-1,2-ethanediylidene)bis(n-methylhydrazinecarbothioamidato-.kappa.n2,.kappa.s))(2-))-, (sp-4-2)-
  • Copper(ii) diacetyl-di(n4-methyl)thiosemicarbazone
  • Cu-atsm
  • Cu(ii)atsm
  • Diacetyl(n(4)-methylthiosemicarbazonato) copper (ii)
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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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
0YDK1H9L3A
CAS number
68341-09-3
InChI Key
SBHDKYTVDCRMOE-JPAPVDFESA-L
InChI
InChI=1S/C8H16N6S2.Cu/c1-5(11-13-7(15)9-3)6(2)12-14-8(16)10-4;/h1-4H3,(H2,9,13,15)(H2,10,14,16);/q;+2/p-2/b11-5+,12-6+;
IUPAC Name
copper(2+) [(Z)-N-methyl-N'-[(E)-[(3E)-3-{[(Z)-[(methylamino)(sulfanidyl)methylidene]amino]imino}butan-2-ylidene]amino]carbamimidoyl]sulfanide
SMILES
[Cu++].CN\C([S-])=N\N=C(/C)\C(\C)=N\N=C(/[S-])NC

References

General References
Not Available
ChemSpider
7858896

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentAmyotrophic Lateral Sclerosis (ALS)1
2, 3Unknown StatusTreatmentAmyotrophic Lateral Sclerosis (ALS)1
1CompletedTreatmentAmyotrophic Lateral Sclerosis (ALS) / MND (Motor Neurone Disease)1
1CompletedTreatmentParkinson's Disease (PD)1
1, 2Active Not RecruitingTreatmentAmyotrophic Lateral Sclerosis (ALS)1

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 Solubility0.799 mg/mLALOGPS
logP1.18ALOGPS
logP1.12Chemaxon
logS-2.7ALOGPS
pKa (Strongest Acidic)6.51Chemaxon
pKa (Strongest Basic)4.1Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area73.5 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity73.32 m3·mol-1Chemaxon
Polarizability27.22 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 15, 2022 01:45 / Updated at December 01, 2022 11:33