Identification

Generic Name
Iopanoic acid
DrugBank Accession Number
DB08946
Background

Iopanoic acid contains iodine and is useful as a contrast medium in cholecystography.

Type
Small Molecule
Groups
Approved, Withdrawn
Structure
Weight
Average: 570.9319
Monoisotopic: 570.800208893
Chemical Formula
C11H12I3NO2
Synonyms
  • Acidum iopanoicum
  • Iodopanoic acid
  • Iopanoic acid

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
Colegraf (Estedi)
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Telepaque - Tablet - 500mgTablet500 mgOralNycomed Imaging A.S.1999-06-012002-06-19Canada flag
Telepaque TabTablet500 mg / tabOralSterling Winthrop Inc.1992-12-311996-09-10Canada flag
Telepaque Tab 500mgTablet500 mg / tabOralSanofi1952-12-311997-07-30Canada flag

Categories

ATC Codes
V08AC06 — Iopanoic acid
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Sub Class
Not Available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Aniline and substituted anilines / Iodobenzenes / Aryl iodides / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Primary amines / Organopnictogen compounds / Organoiodides / Organic oxides
show 2 more
Substituents
3-phenylpropanoic-acid / Amine / Amino acid / Amino acid or derivatives / Aniline or substituted anilines / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide / Benzenoid / Carbonyl group
show 16 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
monocarboxylic acid (CHEBI:5951)
Affected organisms
Not Available

Chemical Identifiers

UNII
FE9794P71J
CAS number
96-83-3
InChI Key
OIRFJRBSRORBCM-UHFFFAOYSA-N
InChI
InChI=1S/C11H12I3NO2/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14/h4-5H,2-3,15H2,1H3,(H,16,17)
IUPAC Name
2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoic acid
SMILES
CCC(CC1=C(I)C(N)=C(I)C=C1I)C(O)=O

References

General References
  1. Renko K, Hoefig CS, Hiller F, Schomburg L, Kohrle J: Identification of iopanoic acid as substrate of type 1 deiodinase by a novel nonradioactive iodide-release assay. Endocrinology. 2012 May;153(5):2506-13. doi: 10.1210/en.2011-1863. Epub 2012 Mar 20. [Article]
KEGG Compound
C08217
PubChem Compound
3735
PubChem Substance
310264912
ChemSpider
3604
RxNav
5967
ChEBI
5951
ChEMBL
CHEMBL867
Wikipedia
Iopanoic_acid

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
TabletOral
TabletOral500 mg
TabletOral500 mg / tab
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0138 mg/mLALOGPS
logP3.93ALOGPS
logP4.58ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)2.85ChemAxon
pKa (Strongest Basic)1.76ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity95.93 m3·mol-1ChemAxon
Polarizability36.91 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-qTof , PositiveLC-MS/MSNot Available
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000t-3793000000-ce2a377b439948086344
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable

Drug created at May 27, 2014 16:27 / Updated at February 21, 2021 18:52