NAV

Reposal

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

Identification

Generic Name
Reposal
DrugBank Accession Number
DB13805
Background

Reposal is a barbiturate derivative invented in the 1960s in Denmark that has sedative, hypnotic and anticonvulsant properties. It was used primarily in the treatment of insomnia.

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 262.309
Monoisotopic: 262.131742448
Chemical Formula
C14H18N2O3
Synonyms
Not Available
External IDs
  • WT-161
  • WT161
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Pharmacology

Indication

Not Available

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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
Integrate drug-drug
interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Reposal.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Reposal.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Reposal.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Reposal.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Reposal.
Food Interactions
Not Available

Categories

ATC Codes
N05CA12 — Reposal
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as barbituric acid derivatives. These are compounds containing a perhydropyrimidine ring substituted at C-2, -4 and -6 by oxo groups.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyrimidines and pyrimidine derivatives
Direct Parent
Barbituric acid derivatives
Alternative Parents
N-acyl ureas / Diazinanes / Dicarboximides / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
1,3-diazinane / Aliphatic heteropolycyclic compound / Azacycle / Barbiturate / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Hydrocarbon derivative / N-acyl urea
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
3T5TIX1AYI
CAS number
3625-25-0
InChI Key
MKELYWOVSPVORM-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2O3/c1-2-14(11(17)15-13(19)16-12(14)18)10-6-8-3-4-9(5-8)7-10/h6,8-9H,2-5,7H2,1H3,(H2,15,16,17,18,19)
IUPAC Name
5-{bicyclo[3.2.1]oct-2-en-3-yl}-5-ethyl-1,3-diazinane-2,4,6-trione
SMILES
CCC1(C(=O)NC(=O)NC1=O)C1=CC2CCC(C2)C1

References

General References
  1. KESSING SV, TARDING F, THOMSEN AC: [REPOSAL, A NEW HYPNOTIC. I. PHARMACODYNAMIC ACTIVITY]. Ugeskr Laeger. 1963 Dec 6;125:1735-8. [Article]
  2. KESSING SV, TARDING F, THOMSEN AC: [REPOSAL, A NEW HYPNOTIC. II. CLINICAL EFFECTS]. Ugeskr Laeger. 1963 Dec 6;125:1739-41. [Article]
  3. Nielsen P, Tarding F: The metabolic fate of 5-(bicyclo-3,2,1,-oct-2-en-2-yl)-5-ethyl barbituric acid, (Reposal). Acta Pharmacol Toxicol (Copenh). 1968;26(6):521-30. [Article]
ChemSpider
18167
ChEBI
135079
ChEMBL
CHEMBL505851
Wikipedia
Reposal

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.182 mg/mLALOGPS
logP1.88ALOGPS
logP1.58Chemaxon
logS-3.2ALOGPS
pKa (Strongest Acidic)7.14Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area75.27 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity68.95 m3·mol-1Chemaxon
Polarizability26.76 Å3Chemaxon
Number of Rings3Chemaxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-003s-6890000000-6dd08a31bbcda6e250b3
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0190000000-6ec139528716be80bcc1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0296-0980000000-cef7699bfb3249ae42a8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-06r5-0940000000-22cb92136a71d332d4d1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9550000000-f7f3522b3477c9c4e5b4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0aor-0920000000-36bc4147959434ed93f1
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0007-6920000000-004c3eed08ed86a6ce61
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]-166.4969
predicted
DeepCCS 1.0 (2019)
[M+H]+168.8549
predicted
DeepCCS 1.0 (2019)
[M+Na]+174.94806
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:49 / Updated at June 12, 2020 16:53