NAV

Cyclobarbital

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

Identification

Generic Name
Cyclobarbital
DrugBank Accession Number
DB13737
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 236.271
Monoisotopic: 236.116092383
Chemical Formula
C12H16N2O3
Synonyms
  • Cyclobarbital
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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 Cyclobarbital.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Cyclobarbital.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Cyclobarbital.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Cyclobarbital.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Cyclobarbital.
Food Interactions
Not Available

Categories

ATC Codes
N05CA10 — Cyclobarbital
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
0M8A98AD9H
CAS number
52-31-3
InChI Key
WTYGAUXICFETTC-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17)
IUPAC Name
5-(cyclohex-1-en-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
SMILES
CCC1(C(=O)NC(=O)NC1=O)C1=CCCCC1

References

General References
Not Available
ChemSpider
5632
RxNav
2978
ChEBI
134957
ChEMBL
CHEMBL268164
ZINC
ZINC000005651565
Wikipedia
Cyclobarbital

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 Solubility0.696 mg/mLALOGPS
logP1.96ALOGPS
logP1.47Chemaxon
logS-2.5ALOGPS
pKa (Strongest Acidic)7.14Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area75.27 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity61.65 m3·mol-1Chemaxon
Polarizability23.94 Å3Chemaxon
Number of Rings2Chemaxon
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-MSsplash10-05dm-7930000000-1cf6c3f579174f02c85a
GC-MS Spectrum - EI-BGC-MSsplash10-0a4l-9430000000-06804ad81698d15c83f7
GC-MS Spectrum - CI-BGC-MSsplash10-000i-0090000000-87df9a30ad5b44b2d266
GC-MS Spectrum - EI-BGC-MSsplash10-0a4i-9370000000-8824ae0212f57694f101
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0490000000-7c33b88c26746de2226f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-3950000000-b15a308c40d9879eb7c9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0900000000-0860d769acab43d23da8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9110000000-4b330a2debc493250026
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000f-8900000000-f4407b08c86f4d798e1a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-05g1-2950000000-e1aa4c2d62474e89336b
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]-159.7386611
predicted
DarkChem Lite v0.1.0
[M-H]-161.2203
predicted
DeepCCS 1.0 (2019)
[M+H]+160.4443611
predicted
DarkChem Lite v0.1.0
[M+H]+163.57832
predicted
DeepCCS 1.0 (2019)
[M+Na]+169.67145
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:47 / Updated at February 21, 2021 18:54