NAV

Diodone

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

Identification

Generic Name
Diodone
DrugBank Accession Number
DB13568
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 510.067
Monoisotopic: 509.91486
Chemical Formula
C11H16I2N2O5
Synonyms
  • Diodone
  • Iodopyracet
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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.
Not Available
Food Interactions
Not Available

Categories

ATC Codes
V08AA10 — Diodone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Alpha amino acids and derivatives
Alternative Parents
Polyhalopyridines / Dihydropyridines / Aryl iodides / Vinylogous amides / Heteroaromatic compounds / Cyclic ketones / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Organopnictogen compounds
show 5 more
Substituents
Alpha-amino acid or derivatives / Aromatic heteromonocyclic compound / Aryl halide / Aryl iodide / Azacycle / Carbonyl group / Carboxylic acid / Cyclic ketone / Dihydropyridine / Heteroaromatic compound
show 16 more
Molecular Framework
Not Available
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
ZTK4026YJ5
CAS number
300-37-8
InChI Key
RERHJVNYJKZHLJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H5I2NO3.C4H11NO2/c8-4-1-10(3-6(11)12)2-5(9)7(4)13;6-3-1-5-2-4-7/h1-2H,3H2,(H,11,12);5-7H,1-4H2
IUPAC Name
2-(3,5-diiodo-4-oxo-1,4-dihydropyridin-1-yl)acetic acid; 2-[(2-hydroxyethyl)amino]ethan-1-ol
SMILES
OCCNCCO.OC(=O)CN1C=C(I)C(=O)C(I)=C1

References

General References
Not Available
ChemSpider
8944
ChEMBL
CHEMBL2105036
Wikipedia
Diodone

Clinical Trials

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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 Solubility1.92 mg/mLALOGPS
logP1.89ALOGPS
logP2.11Chemaxon
logS-2.3ALOGPS
pKa (Strongest Acidic)2.53Chemaxon
pKa (Strongest Basic)-8.2Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area57.61 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity65.69 m3·mol-1Chemaxon
Polarizability25.02 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-185.01558
predicted
DeepCCS 1.0 (2019)
[M+H]+187.37361
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.46678
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:44 / Updated at February 21, 2021 18:54