Enibomal

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

Identification

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Name
Enibomal
Accession Number
DB13229
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • Narcobarbital
Product Ingredients
IngredientUNIICASInChI Key
Enibomal sodiumM2BUZ8YH0F3329-16-6OJFQAJVRMVQQHN-UHFFFAOYSA-M
Categories
UNII
A77U8G9H84
CAS number
125-55-3
Weight
Average: 303.156
Monoisotopic: 302.026605
Chemical Formula
C11H15BrN2O3
InChI Key
WGMASVSHOSNKMF-UHFFFAOYSA-N
InChI
InChI=1S/C11H15BrN2O3/c1-6(2)11(5-7(3)12)8(15)13-10(17)14(4)9(11)16/h6H,3,5H2,1-2,4H3,(H,13,15,17)
IUPAC Name
5-(2-bromoprop-2-en-1-yl)-1-methyl-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione
SMILES
CC(C)C1(CC(Br)=C)C(=O)NC(=O)N(C)C1=O

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
DrugInteraction
AdinazolamThe therapeutic efficacy of Enibomal can be increased when used in combination with Adinazolam.
AlfaxaloneThe therapeutic efficacy of Enibomal can be increased when used in combination with Alfaxalone.
AlfentanilThe therapeutic efficacy of Enibomal can be increased when used in combination with Alfentanil.
AlprazolamThe therapeutic efficacy of Enibomal can be increased when used in combination with Alprazolam.
AnileridineThe therapeutic efficacy of Enibomal can be increased when used in combination with Anileridine.
BentazepamThe therapeutic efficacy of Enibomal can be increased when used in combination with Bentazepam.
BenzodiazepineThe therapeutic efficacy of Enibomal can be increased when used in combination with Benzodiazepine.
BromazepamThe therapeutic efficacy of Enibomal can be increased when used in combination with Bromazepam.
BrotizolamThe therapeutic efficacy of Enibomal can be increased when used in combination with Brotizolam.
CamazepamThe therapeutic efficacy of Enibomal can be increased when used in combination with Camazepam.
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

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Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Compound
C17722
ChemSpider
17691
ChEBI
81294
ChEMBL
CHEMBL92963
Wikipedia
Narcobarbital
ATC Codes
N01AG01 — Narcobarbital

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 Solubility0.661 mg/mLALOGPS
logP1.77ALOGPS
logP1.61ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)7.89ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area66.48 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity66.03 m3·mol-1ChemAxon
Polarizability25.4 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-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 / Vinyl bromides / Bromoalkenes / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organobromides / Organic oxides
show 2 more
Substituents
Barbiturate / N-acyl urea / Ureide / 1,3-diazinane / Dicarboximide / Carbonic acid derivative / Urea / Haloalkene / Vinyl halide / Vinyl bromide
show 14 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
barbiturates (CHEBI:81294)

Drug created on June 23, 2017 14:38 / Updated on June 04, 2019 07:49