Enibomal

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

Identification

Generic Name
Enibomal
DrugBank Accession Number
DB13229
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 303.156
Monoisotopic: 302.026605
Chemical Formula
C11H15BrN2O3
Synonyms
  • Narcobarbital

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
AlfentanilThe therapeutic efficacy of Enibomal can be increased when used in combination with Alfentanil.
AnileridineThe therapeutic efficacy of Enibomal can be increased when used in combination with Anileridine.
ChloroformThe therapeutic efficacy of Enibomal can be increased when used in combination with Chloroform.
ClonidineThe therapeutic efficacy of Enibomal can be increased when used in combination with Clonidine.
DesfluraneThe therapeutic efficacy of Enibomal can be increased when used in combination with Desflurane.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Enibomal sodiumM2BUZ8YH0F3329-16-6OJFQAJVRMVQQHN-UHFFFAOYSA-M

Categories

ATC Codes
N01AG01 — Narcobarbital
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 / Vinyl bromides / Bromoalkenes / Azacyclic compounds / Organopnictogen compounds / Organonitrogen compounds / Organobromides / Organic oxides
show 2 more
Substituents
1,3-diazinane / Aliphatic heteromonocyclic compound / Azacycle / Barbiturate / Bromoalkene / Carbonic acid derivative / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Haloalkene
show 14 more
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
barbiturates (CHEBI:81294)
Affected organisms
Not Available

Chemical Identifiers

UNII
A77U8G9H84
CAS number
125-55-3
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

References

General References
Not Available
KEGG Compound
C17722
ChemSpider
17691
ChEBI
81294
ChEMBL
CHEMBL92963
Wikipedia
Narcobarbital

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 Solubility0.661 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-MSsplash10-0006-9450000000-1eb5499b3ea91a80d26a
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0w29-0397000000-95d43dcb14fc4b998e69
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0029000000-e3512d4654d966c6895a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0940000000-98e578088d423a3e7972
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-4391000000-f66ec8e9661866e38b43
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00b9-0900000000-84fd725424b3595efd36
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00tp-9620000000-fc3ff4c78f6830ca974d
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]-159.03593
predicted
DeepCCS 1.0 (2019)
[M+H]+161.39394
predicted
DeepCCS 1.0 (2019)
[M+Na]+167.48709
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:38 / Updated at June 12, 2020 16:53