NAV

Bromisoval

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

Identification

Generic Name
Bromisoval
DrugBank Accession Number
DB13370
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 223.07
Monoisotopic: 222.000391
Chemical Formula
C6H11BrN2O2
Synonyms
  • Bromisoval
  • Bromisovalum
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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
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Bromisoval.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Bromisoval.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Bromisoval.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Bromisoval.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Bromisoval.
Food Interactions
Not Available

Products

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International/Other Brands
Bromovalerylurea / Bromural / Brovarin

Categories

ATC Codes
N05CM03 — Bromisoval
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as carboximidic acids and derivatives. These are compounds containing a carboximidic group, with the general formula R-C(=NR1)OR2.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboximidic acids and derivatives
Sub Class
Not Available
Direct Parent
Carboximidic acids and derivatives
Alternative Parents
Propargyl-type 1,3-dipolar organic compounds / Organopnictogen compounds / Organooxygen compounds / Organobromides / Imines / Hydrocarbon derivatives / Alkyl bromides
Substituents
Aliphatic acyclic compound / Alkyl bromide / Alkyl halide / Carboximidic acid derivative / Hydrocarbon derivative / Imine / Organic 1,3-dipolar compound / Organic nitrogen compound / Organic oxygen compound / Organobromide
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
organobromine compound, N-acylurea (CHEBI:77043)
Affected organisms
Not Available

Chemical Identifiers

UNII
469GW8R486
CAS number
496-67-3
InChI Key
CMCCHHWTTBEZNM-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)
IUPAC Name
(2-bromo-3-methylbutanoyl)urea
SMILES
CC(C)C(Br)C(=O)NC(N)=O

References

General References
Not Available
KEGG Compound
C12829
ChemSpider
2353
ChEBI
77043
ChEMBL
CHEMBL1515611
Wikipedia
Bromisoval

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 Solubility1.71 mg/mLALOGPS
logP0.62ALOGPS
logP0.8Chemaxon
logS-2.1ALOGPS
pKa (Strongest Acidic)10.95Chemaxon
pKa (Strongest Basic)-7.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area72.19 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity43.93 m3·mol-1Chemaxon
Polarizability17.9 Å3Chemaxon
Number of Rings0Chemaxon
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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0910000000-c50e96d8fb27a437858f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-9130000000-3f0321ee2c0b1da7c12a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-5900000000-c7403b2001d04a97fd03
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-005c-9400000000-5f50097f18ab2fb18d23
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-bd363f017f5ebcb26064
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0536-5900000000-ddff87ab8c74aa4e67f0
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]-134.61836
predicted
DeepCCS 1.0 (2019)
[M+H]+137.79211
predicted
DeepCCS 1.0 (2019)
[M+Na]+146.86868
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:40 / Updated at February 21, 2021 18:54