Iodoxamic acid

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

Identification

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Name
Iodoxamic acid
Accession Number
DB13539
Type
Small Molecule
Groups
Experimental
Description

Radiopaque medium used in the diagnosis of gall bladder & bile duct diseases, usually as meglumine salt.

Structure
Thumb
Synonyms
  • Acidum iodoxamicum
External IDs
B 10610 / B-10610 / BC-17 / SQ 21982 / SQ-21982
Product Ingredients
IngredientUNIICASInChI Key
Iodoxamate meglumineCIX5G6J9R151764-33-1LNBGFESBSAEKAE-VRWDCWMNSA-N
International/Other Brands
Cholevue / Endobil / Endomirabil
Categories
UNII
NS1Y283HW4
CAS number
31127-82-9
Weight
Average: 1287.925
Monoisotopic: 1287.58557
Chemical Formula
C26H26I6N2O10
InChI Key
WWVAPFRKZMUPHZ-UHFFFAOYSA-N
InChI
InChI=1S/C26H26I6N2O10/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40)
IUPAC Name
3-{16-[(3-carboxy-2,4,6-triiodophenyl)-C-hydroxycarbonimidoyl]-2-hydroxy-5,8,11,14-tetraoxa-1-azahexadec-1-en-1-yl}-2,4,6-triiodobenzoic acid
SMILES
OC(CCOCCOCCOCCOCCC(O)=NC1=C(I)C=C(I)C(C(O)=O)=C1I)=NC1=C(I)C=C(I)C(C(O)=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
ChemSpider
32877
ChEBI
31707
ChEMBL
CHEMBL1615487
Wikipedia
Iodoxamic_acid
ATC Codes
V08AC01 — Iodoxamic acid

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
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00307 mg/mLALOGPS
logP3.97ALOGPS
logP8.63ChemAxon
logS-5.6ALOGPS
pKa (Strongest Acidic)2.64ChemAxon
pKa (Strongest Basic)-0.44ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area176.7 Å2ChemAxon
Rotatable Bond Count19ChemAxon
Refractivity220.46 m3·mol-1ChemAxon
Polarizability89.3 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
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 acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzoic acids and derivatives
Direct Parent
Acylaminobenzoic acid and derivatives
Alternative Parents
2-halobenzoic acids / 4-halobenzoic acids / Halobenzoic acids / Anilides / Benzoic acids / 1-carboxy-2-haloaromatic compounds / N-arylamides / Benzoyl derivatives / Iodobenzenes / Aryl iodides
show 9 more
Substituents
Acylaminobenzoic acid or derivatives / 2-halobenzoic acid or derivatives / 4-halobenzoic acid or derivatives / Halobenzoic acid or derivatives / 2-halobenzoic acid / 4-halobenzoic acid / Halobenzoic acid / Anilide / Benzoic acid / N-arylamide
show 25 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available

Drug created on June 23, 2017 14:43 / Updated on June 04, 2019 07:54