Iodamide

Identification

Name
Iodamide
Accession Number
DB08948
Type
Small Molecule
Groups
Withdrawn
Description

Iodamide is a contrast medium molecule that is no longer marketed in the United States.

Structure
Thumb
Synonyms
  • Ametriodinic acid
  • iodamida
  • Radiomiro
  • Rayomiro
  • Triomiro
External IDs
B-4130 / SH 926 / SH-926
Product Ingredients
IngredientUNIICASInChI Key
Iodamide meglumine6X283535A318656-21-8UYIPQECISAQMIU-WZTVWXICSA-N
International/Other Brands
Angiomiron (Schering) / Uromiron (Schering)
Categories
UNII
4RII332O0R
CAS number
440-58-4
Weight
Average: 627.9402
Monoisotopic: 627.78528711
Chemical Formula
C12H11I3N2O4
InChI Key
VVDGWALACJEJKG-UHFFFAOYSA-N
InChI
InChI=1S/C12H11I3N2O4/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
IUPAC Name
3-[(1-hydroxyethylidene)amino]-5-{[(1-hydroxyethylidene)amino]methyl}-2,4,6-triiodobenzoic acid
SMILES
CC(O)=NCC1=C(I)C(C(O)=O)=C(I)C(N=C(C)O)=C1I

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
KEGG Drug
D01376
PubChem Compound
3723
PubChem Substance
310264914
ChemSpider
3592
ChEBI
31703
ChEMBL
CHEMBL1201239
Drugs.com
Drugs.com Drug Page
Wikipedia
Iodamide
ATC Codes
V08AA03 — Iodamide

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0182 mg/mLALOGPS
logP2.47ALOGPS
logP3.71ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)3.06ChemAxon
pKa (Strongest Basic)2.17ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area102.48 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity107.46 m3·mol-1ChemAxon
Polarizability40.98 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

Taxonomy

Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Halobenzoic acids
Alternative Parents
2-halobenzoic acids / 4-halobenzoic acids / Benzoic acids / 1-carboxy-2-haloaromatic compounds / Benzoyl derivatives / Iodobenzenes / Aryl iodides / Vinylogous halides / Monocarboxylic acids and derivatives / Carboximidic acids
show 7 more
Substituents
Halobenzoic acid / 4-halobenzoic acid / 2-halobenzoic acid / 4-halobenzoic acid or derivatives / 2-halobenzoic acid or derivatives / Benzoic acid / Benzoyl / 1-carboxy-2-haloaromatic compound / Halobenzene / Iodobenzene
show 20 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
organoiodine compound, benzoic acids (CHEBI:31703)

Drug created on May 27, 2014 11:35 / Updated on November 02, 2018 08:51