Enibomal
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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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- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAlfentanil The therapeutic efficacy of Enibomal can be increased when used in combination with Alfentanil. Anileridine The therapeutic efficacy of Enibomal can be increased when used in combination with Anileridine. Chloroform The therapeutic efficacy of Enibomal can be increased when used in combination with Chloroform. Clonidine The therapeutic efficacy of Enibomal can be increased when used in combination with Clonidine. Desflurane The therapeutic efficacy of Enibomal can be increased when used in combination with Desflurane. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Enibomal sodium M2BUZ8YH0F 3329-16-6 OJFQAJVRMVQQHN-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
- External Links
- KEGG Compound
- C17722
- ChemSpider
- 17691
- ChEBI
- 81294
- ChEMBL
- CHEMBL92963
- Wikipedia
- Narcobarbital
Clinical Trials
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
Property Value Source Water Solubility 0.661 mg/mL ALOGPS logP 1.77 ALOGPS logP 1.61 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 7.89 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 66.48 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 66.03 m3·mol-1 Chemaxon Polarizability 25.4 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0006-9450000000-1eb5499b3ea91a80d26a Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0w29-0397000000-95d43dcb14fc4b998e69 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-0029000000-e3512d4654d966c6895a Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0940000000-98e578088d423a3e7972 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-006x-4391000000-f66ec8e9661866e38b43 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00b9-0900000000-84fd725424b3595efd36 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00tp-9620000000-fc3ff4c78f6830ca974d Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 159.03593 predictedDeepCCS 1.0 (2019) [M+H]+ 161.39394 predictedDeepCCS 1.0 (2019) [M+Na]+ 167.48709 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:38 / Updated at June 12, 2020 16:53