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Proxibarbal

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

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Identification

Generic Name
Proxibarbal
DrugBank Accession Number
DB13253
Background

Proxibarbal is a derivative of barbiturates, which has been used to treat migraines. Proxibarbal was approved in France but was withdrawn from the market due to the risk of inducing immunoallergic thrombocytopenia 1.

Type
Small Molecule
Groups
Approved
Structure
3D
Similar Structures
Weight
Average: 226.232
Monoisotopic: 226.095356939
Chemical Formula
C10H14N2O4
Synonyms
  • Proxibarbal
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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.
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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Proxibarbal.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Proxibarbal.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Proxibarbal.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Proxibarbal.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Proxibarbal.
Food Interactions
Not Available

Categories

ATC Codes
N05CA22 — Proxibarbal
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 / Secondary alcohols / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
1,3-diazinane / Alcohol / Aliphatic heteromonocyclic compound / Azacycle / Barbiturate / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Hydrocarbon derivative
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
F97OMS297F
CAS number
2537-29-3
InChI Key
VNLMRPAWAMPLNZ-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2O4/c1-3-4-10(5-6(2)13)7(14)11-9(16)12-8(10)15/h3,6,13H,1,4-5H2,2H3,(H2,11,12,14,15,16)
IUPAC Name
5-(2-hydroxypropyl)-5-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
SMILES
CC(O)CC1(CC=C)C(=O)NC(=O)NC1=O

References

General References
  1. WHO Pharmaceuticals: Restrictions in Use and Availability (2001; 40 pages) View the PDF document [Link]
ChemSpider
16406
RxNav
83885
ChEBI
134928
ChEMBL
CHEMBL2105233
Wikipedia
Proxibarbital

Clinical Trials

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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 Solubility23.5 mg/mLALOGPS
logP-0.13ALOGPS
logP-0.16Chemaxon
logS-0.98ALOGPS
pKa (Strongest Acidic)7.18Chemaxon
pKa (Strongest Basic)-2.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area95.5 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity55.24 m3·mol-1Chemaxon
Polarizability21.35 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
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0a4m-9640000000-6ec0a76c2171658e9e10
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-016r-0940000000-a4f0215f2e7c819f497f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004i-0290000000-fb7babae4d0d1d540aa2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9700000000-6be899cc1d8a54b4a17d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9200000000-b5f4262aa08f08f59cc2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6x-7900000000-95b8d5e44eabf7f2930b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9400000000-d2090a8f88efcaefe752
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]-142.24063
predicted
DeepCCS 1.0 (2019)
[M+H]+144.59865
predicted
DeepCCS 1.0 (2019)
[M+Na]+152.05237
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at February 21, 2021 18:54