Reposal

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

Identification

Name
Reposal
Accession Number
DB13805
Type
Small Molecule
Groups
Experimental
Description

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.

Structure
Thumb
Synonyms
Not Available
External IDs
WT-161 / WT161
Categories
UNII
3T5TIX1AYI
CAS number
3625-25-0
Weight
Average: 262.309
Monoisotopic: 262.131742448
Chemical Formula
C14H18N2O3
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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
2,5-Dimethoxy-4-ethylthioamphetamineThe risk or severity of adverse effects can be increased when Reposal is combined with 2,5-Dimethoxy-4-ethylthioamphetamine.
4-Bromo-2,5-dimethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Bromo-2,5-dimethoxyamphetamine is combined with Reposal.
4-MethoxyamphetamineThe risk or severity of adverse effects can be increased when 4-Methoxyamphetamine is combined with Reposal.
5-methoxy-N,N-dimethyltryptamineThe risk or severity of adverse effects can be increased when Reposal is combined with 5-methoxy-N,N-dimethyltryptamine.
7-NitroindazoleThe risk or severity of adverse effects can be increased when 7-Nitroindazole is combined with Reposal.
7,8-Dichloro-1,2,3,4-tetrahydroisoquinolineThe risk or severity of adverse effects can be increased when 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline is combined with Reposal.
AcepromazineThe risk or severity of adverse effects can be increased when Acepromazine is combined with Reposal.
AceprometazineThe risk or severity of adverse effects can be increased when Aceprometazine is combined with Reposal.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Reposal.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with Reposal.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

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  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

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. [PubMed:14103836]
  2. KESSING SV, TARDING F, THOMSEN AC: [REPOSAL, A NEW HYPNOTIC. II. CLINICAL EFFECTS]. Ugeskr Laeger. 1963 Dec 6;125:1739-41. [PubMed:14103837]
  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. [PubMed:5756387]
External Links
ChemSpider
18167
ChEBI
135079
ChEMBL
CHEMBL505851
Wikipedia
Reposal
ATC Codes
N05CA12 — Reposal

Clinical Trials

Clinical Trials
Not Available

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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Barbiturate / N-acyl urea / Ureide / 1,3-diazinane / Dicarboximide / Urea / Carbonic acid derivative / Carboxylic acid derivative / Azacycle / Organic nitrogen compound
Molecular Framework
Aliphatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:49 / Updated on March 01, 2020 21:40

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