NAV

Pyrithyldione

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

Identification

Generic Name
Pyrithyldione
DrugBank Accession Number
DB13331
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 167.208
Monoisotopic: 167.094628663
Chemical Formula
C9H13NO2
Synonyms
  • Pyrithyldiona
  • Pyrithyldione
  • Pyrithyldionum
External IDs
  • NU 903
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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.
DrugInteraction
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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Pyrithyldione.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Pyrithyldione.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Pyrithyldione.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Pyrithyldione.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Pyrithyldione.
Food Interactions
Not Available

Products

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International/Other Brands
Benedorm / Didropyridine / Persedon / Presidon / Tetridin / Tetridine

Categories

ATC Codes
N05CE03 — Pyrithyldione
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dihydropyridines. These are compounds containing a dihydropyridine moiety, which is a semi-saturated pyridine derivative with two double bonds.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyridines and derivatives
Sub Class
Hydropyridines
Direct Parent
Dihydropyridines
Alternative Parents
Cyclic carboximidic acids / Cyclic ketones / Propargyl-type 1,3-dipolar organic compounds / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Aliphatic heteromonocyclic compound / Azacycle / Carbonyl group / Cyclic carboximidic acid / Cyclic ketone / Dihydropyridine / Hydrocarbon derivative / Ketone / Organic 1,3-dipolar compound / Organic nitrogen compound
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8AB20823CK
CAS number
77-04-3
InChI Key
NZASCBIBXNPDMH-UHFFFAOYSA-N
InChI
InChI=1S/C9H13NO2/c1-3-9(4-2)7(11)5-6-10-8(9)12/h5-6H,3-4H2,1-2H3,(H,10,12)
IUPAC Name
3,3-diethyl-1,2,3,4-tetrahydropyridine-2,4-dione
SMILES
CCC1(CC)C(=O)NC=CC1=O

References

General References
Not Available
ChemSpider
4820
ChEBI
94590
ChEMBL
CHEMBL1722501
ZINC
ZINC000003861492
Wikipedia
Pyrithyldione

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedTreatmentDementia / Sleep disorders and disturbances1

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 Solubility5.45 mg/mLALOGPS
logP0.58ALOGPS
logP1.56Chemaxon
logS-1.5ALOGPS
pKa (Strongest Acidic)13.04Chemaxon
pKa (Strongest Basic)-5.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area46.17 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity45.9 m3·mol-1Chemaxon
Polarizability17.38 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
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSsplash10-00fu-4900000000-96e911c1ed99b3112502
MS/MS Spectrum - , positiveLC-MS/MSsplash10-00fu-4900000000-96e911c1ed99b3112502
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014l-1900000000-dbcf4c39ac13607b5d95
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0900000000-8b3005143272e0593776
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dm-9800000000-aacf3d7df1729138fde5
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-02g6-5900000000-714e58db1b8c6e2b49aa
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00xu-9700000000-0a6d12c03ab2a9d4097b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-006t-9400000000-a6ede428c7802b3579e4
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]-137.4251449
predicted
DarkChem Lite v0.1.0
[M-H]-131.94127
predicted
DeepCCS 1.0 (2019)
[M+H]+137.7678449
predicted
DarkChem Lite v0.1.0
[M+H]+135.75623
predicted
DeepCCS 1.0 (2019)
[M+Na]+137.4867449
predicted
DarkChem Lite v0.1.0
[M+Na]+144.5975
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54