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Carbromal

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

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Identification

Generic Name
Carbromal
DrugBank Accession Number
DB13817
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 237.097
Monoisotopic: 236.016041
Chemical Formula
C7H13BrN2O2
Synonyms
  • Carbromal
  • Carbromalum
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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
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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.
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1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Carbromal.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Carbromal.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Carbromal.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Carbromal.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Carbromal.
Food Interactions
Not Available

Products

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International/Other Brands
Adalin

Categories

ATC Codes
N05CM04 — Carbromal
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as n-acyl ureas. These are compounds containing an urea bearing a N-acyl group.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Organic carbonic acids and derivatives
Sub Class
Ureas
Direct Parent
N-acyl ureas
Alternative Parents
N-acyl amines / Dicarboximides / Organopnictogen compounds / Organonitrogen compounds / Organobromides / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds / Alkyl bromides
Substituents
Aliphatic acyclic compound / Alkyl bromide / Alkyl halide / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Hydrocarbon derivative / N-acyl urea / N-acyl-amine / Organic nitrogen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
0Y299JY9V3
CAS number
77-65-6
InChI Key
OPNPQXLQERQBBV-UHFFFAOYSA-N
InChI
InChI=1S/C7H13BrN2O2/c1-3-7(8,4-2)5(11)10-6(9)12/h3-4H2,1-2H3,(H3,9,10,11,12)
IUPAC Name
(2-bromo-2-ethylbutanoyl)urea
SMILES
CCC(Br)(CC)C(=O)NC(N)=O

References

General References
Not Available
ChemSpider
6243
RxNav
2067
ChEBI
134961
ChEMBL
CHEMBL1697828
ZINC
ZINC000000001093
Wikipedia
Carbromal

Clinical Trials

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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 Solubility0.976 mg/mLALOGPS
logP1.57ALOGPS
logP1.39Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)10.91Chemaxon
pKa (Strongest Basic)-7.5Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area72.19 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity48.7 m3·mol-1Chemaxon
Polarizability19.68 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
GC-MS Spectrum - EI-BGC-MSsplash10-0006-9100000000-775b7bd34abee4e06ec2
GC-MS Spectrum - CI-BGC-MSsplash10-000i-0190000000-190bd9e60aa98236b477
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000j-2950000000-c033e7f7bb5dc5a63abc
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-052f-9020000000-2d294e013e41111a9ddf
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00xs-2900000000-652e6a5e1da8f2d42dbb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-4e4c8898674937a3251b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-cc04261207052313446b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01c0-0900000000-e4a6331f01405fe1f13e
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]-143.3775035
predicted
DarkChem Lite v0.1.0
[M-H]-137.44948
predicted
DeepCCS 1.0 (2019)
[M+H]+143.6741035
predicted
DarkChem Lite v0.1.0
[M+H]+140.58116
predicted
DeepCCS 1.0 (2019)
[M+Na]+143.2258035
predicted
DarkChem Lite v0.1.0
[M+Na]+149.6165
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:49 / Updated at February 21, 2021 18:54