Apronalide

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

Identification

Generic Name
Apronalide
DrugBank Accession Number
DB13221
Background

Apronalide is approved in Japan. Apronalide has been withdrawn from the market in many other countries due to patient development of thrombocytopenic purpura 1.

Type
Small Molecule
Groups
Approved
Structure
Weight
Average: 184.239
Monoisotopic: 184.121177763
Chemical Formula
C9H16N2O2
Synonyms
  • Apronal

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
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when 1,2-Benzodiazepine is combined with Apronalide.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Apronalide.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Apronalide.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Apronalide.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Apronalide.
Food Interactions
Not Available

Categories

ATC Codes
N05CM12 — Apronal
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 / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Aliphatic acyclic compound / Carbonyl group / Carboxylic acid derivative / Dicarboximide / Hydrocarbon derivative / N-acyl urea / N-acyl-amine / Organic nitrogen compound / Organic oxide / Organic oxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
V18J24E25E
CAS number
528-92-7
InChI Key
KSUUMAWCGDNLFK-UHFFFAOYSA-N
InChI
InChI=1S/C9H16N2O2/c1-4-5-7(6(2)3)8(12)11-9(10)13/h4,6-7H,1,5H2,2-3H3,(H3,10,11,12,13)
IUPAC Name
[2-(propan-2-yl)pent-4-enoyl]urea
SMILES
CC(C)C(CC=C)C(=O)NC(N)=O

References

General References
  1. GRANT DK: Diagnosis of sedormid purpura. Br Med J. 1953 Jul 18;2(4828):128-31. [Article]
ChemSpider
10264
ChEBI
134827
ChEMBL
CHEMBL509282
Wikipedia
Apronal

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 Solubility7.52 mg/mLALOGPS
logP0.83ALOGPS
logP1.19Chemaxon
logS-1.4ALOGPS
pKa (Strongest Acidic)11.75Chemaxon
pKa (Strongest Basic)-6.3Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area72.19 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity50.31 m3·mol-1Chemaxon
Polarizability19.82 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 GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-9400000000-829980720b1cc9920b64
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-052b-9300000000-1431d7d982ead3efbf67
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9300000000-2fc3bc508c5e9a74246e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0apj-9200000000-276312df5b7646c36002
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-16489a8ad9e39439e9cc
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0kcr-9000000000-47da42908b44dd15d14b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-16c904b0457c639796cb
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]-141.02257
predicted
DeepCCS 1.0 (2019)
[M+H]+143.39095
predicted
DeepCCS 1.0 (2019)
[M+Na]+152.15627
predicted
DeepCCS 1.0 (2019)

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