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T-2000

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

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Data Packages
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Identification

Generic Name
T-2000
DrugBank Accession Number
DB11654
Background

T2000 has been used in trials studying the treatment of Myoclonus and Essential Tremor.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 368.389
Monoisotopic: 368.137221752
Chemical Formula
C20H20N2O5
Synonyms
Not Available
External IDs
  • T2000
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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
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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Diphenylmethanes
Direct Parent
Diphenylmethanes
Alternative Parents
Barbituric acid derivatives / N-acyl ureas / Diazinanes / Dicarboximides / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
1,3-diazinane / Aromatic heteromonocyclic compound / Azacycle / Barbiturate / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Diphenylmethane / Hydrocarbon derivative
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
QW2J7VST60
CAS number
97846-21-4
InChI Key
RRFBTKHQZRCRSS-UHFFFAOYSA-N
InChI
InChI=1S/C20H20N2O5/c1-26-13-21-17(23)20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(24)22(14-27-2)19(21)25/h3-12H,13-14H2,1-2H3
IUPAC Name
1,3-bis(methoxymethyl)-5,5-diphenyl-1,3-diazinane-2,4,6-trione
SMILES
COCN1C(=O)N(COC)C(=O)C(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
9907289
PubChem Substance
347828025
ChemSpider
8082941
Wikipedia
T2000

Clinical Trials

Clinical Trials
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PhaseStatusPurposeConditionsCountStart DateWhy Stopped100+ additional columns
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2TerminatedTreatmentEssential Tremor2somestatusstop reasonjust information to hide
2TerminatedTreatmentMyoclonus1somestatusstop reasonjust information to hide

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 Solubility0.0409 mg/mLALOGPS
logP2.02ALOGPS
logP2.67Chemaxon
logS-4ALOGPS
pKa (Strongest Basic)-3.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area76.15 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity96.62 m3·mol-1Chemaxon
Polarizability37.77 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-014i-2965000000-6938a2f1d202981fd988
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-6f08d2eef2141c686e16
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-016r-0049000000-0d7fdc556df0378aa661
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-7eb6bff32403405404c4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0579000000-63f046a0bf35f7bf4166
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0129000000-a1a8149636f941d57108
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-3901000000-63342c3274afffd3be87
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]-192.5619561
predicted
DarkChem Lite v0.1.0
[M-H]-180.6319
predicted
DeepCCS 1.0 (2019)
[M+H]+192.5873561
predicted
DarkChem Lite v0.1.0
[M+H]+182.98991
predicted
DeepCCS 1.0 (2019)
[M+Na]+192.3132561
predicted
DarkChem Lite v0.1.0
[M+Na]+189.9377
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:37 / Updated at June 12, 2020 16:53