Allobarbital

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

Identification

Generic Name
Allobarbital
DrugBank Accession Number
DB13577
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 208.217
Monoisotopic: 208.084792254
Chemical Formula
C10H12N2O3
Synonyms
  • Allobarbital
  • Allobarbitalum
External IDs
  • NSC-9324

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

Products

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Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
SPASMO-PANALGINE 125 MG 10 SUPOZITUARAllobarbital (30 mg) + Acetaminophen (125 mg) + Adiphenine (25 mg)SuppositoryTÜRK EĞİTİM VAKFI1963-01-21Not applicableTurkey flag

Categories

ATC Codes
N05CA21 — Allobarbital
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 heteromonocyclic compound / Azacycle / Barbiturate / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Hydrocarbon derivative / N-acyl urea
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
8NT43GG2HA
CAS number
52-43-7
InChI Key
FDQGNLOWMMVRQL-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O3/c1-3-5-10(6-4-2)7(13)11-9(15)12-8(10)14/h3-4H,1-2,5-6H2,(H2,11,12,13,14,15)
IUPAC Name
5,5-bis(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
SMILES
C=CCC1(CC=C)C(=O)NC(=O)NC1=O

References

General References
Not Available
ChemSpider
5635
RxNav
516
ChEBI
134875
ChEMBL
CHEMBL267719
ZINC
ZINC000005193039
Wikipedia
Allobarbital

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
Suppository
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility3.63 mg/mLALOGPS
logP1.08ALOGPS
logP1Chemaxon
logS-1.8ALOGPS
pKa (Strongest Acidic)7.48Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area75.27 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity53.54 m3·mol-1Chemaxon
Polarizability19.92 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-MSsplash10-00kf-7910000000-b59872f99d947336b9ab
GC-MS Spectrum - EI-BGC-MSsplash10-014l-9500000000-830bf2be43ff02dbb120
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0910000000-a209fd22901f8f929cab
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0290000000-14a47ba368bc87810b62
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00kf-6900000000-9e2b48b74e980c821448
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-31f4fb11059b937443f9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-9800000000-f545c7d4e566f529fd13
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100000000-0e77863eacdbe8d2f533
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]-151.2463719
predicted
DarkChem Lite v0.1.0
[M-H]-145.9538
predicted
DeepCCS 1.0 (2019)
[M+H]+151.8869719
predicted
DarkChem Lite v0.1.0
[M+H]+148.34935
predicted
DeepCCS 1.0 (2019)
[M+Na]+154.73302
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54