NAV

Propyliodone

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

Identification

Generic Name
Propyliodone
DrugBank Accession Number
DB09366
Background

Radiopaque medium usually in oil; used in bronchography.

Type
Small Molecule
Groups
Approved
Structure
3D
Similar Structures
Weight
Average: 447.011
Monoisotopic: 446.88283
Chemical Formula
C10H11I2NO3
Synonyms
  • Propiliodona
  • Propiodone
  • Propyliodone
  • Propyliodonum
External IDs
  • A. G. 33-107
  • A.G. 33-107
  • NSC-97103
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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

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.
Not Available
Food Interactions
Not Available

Products

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International/Other Brands
Dionosil

Categories

ATC Codes
V08AD03 — Propyliodone
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids.
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 acid esters
Alternative Parents
Polyhalopyridines / Dihydropyridines / Aryl iodides / Vinylogous amides / Heteroaromatic compounds / Cyclic ketones / Carboxylic acid esters / Monocarboxylic acids and derivatives / Azacyclic compounds / Organopnictogen compounds
show 4 more
Substituents
Alpha-amino acid ester / Aromatic heteromonocyclic compound / Aryl halide / Aryl iodide / Azacycle / Carbonyl group / Carboxylic acid ester / Cyclic ketone / Dihydropyridine / Heteroaromatic compound
show 15 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
5NPJ6BPX36
CAS number
587-61-1
InChI Key
ROSXARVHJNYYDO-UHFFFAOYSA-N
InChI
InChI=1S/C10H11I2NO3/c1-2-3-16-9(14)6-13-4-7(11)10(15)8(12)5-13/h4-5H,2-3,6H2,1H3
IUPAC Name
propyl 2-(3,5-diiodo-4-oxo-1,4-dihydropyridin-1-yl)acetate
SMILES
CCCOC(=O)CN1C=C(I)C(=O)C(I)=C1

References

General References
Not Available
KEGG Drug
D01755
ChemSpider
4780
RxNav
8793
ChEBI
32064
ChEMBL
CHEMBL1200821
ZINC
ZINC000003831392
Wikipedia
Propyliodone

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 Solubility0.238 mg/mLALOGPS
logP2.28ALOGPS
logP3.13Chemaxon
logS-3.3ALOGPS
pKa (Strongest Basic)-7.2Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area46.61 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity79.74 m3·mol-1Chemaxon
Polarizability31.2 Å3Chemaxon
Number of Rings1Chemaxon
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-MSsplash10-0a4r-3009000000-f3e1f010f790abe5a592
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-1107900000-c7f61cffc9a48ba238f0
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-9003300000-9595dbbd178dabfc8b1a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-1002900000-f4e368d3c68db1e95152
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-6419000000-ea2751f8432b3e85aa62
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000b-0009000000-fdbecef2998a0216e14e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a6r-9412000000-2bf2dd577521915d32f7
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]-173.19487
predicted
DeepCCS 1.0 (2019)
[M+H]+175.55287
predicted
DeepCCS 1.0 (2019)
[M+Na]+181.64601
predicted
DeepCCS 1.0 (2019)

Drug created at November 30, 2015 19:10 / Updated at February 21, 2021 18:52