Iodoxamic acid

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

Identification

Generic Name
Iodoxamic acid
DrugBank Accession Number
DB13539
Background

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

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 1287.925
Monoisotopic: 1287.58557
Chemical Formula
C26H26I6N2O10
Synonyms
  • Acidum iodoxamicum
  • Iodoxamic acid
External IDs
  • B 10610
  • B-10610
  • BC-17
  • SQ 21982
  • SQ-21982

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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Product Ingredients
IngredientUNIICASInChI Key
Iodoxamate meglumineCIX5G6J9R151764-33-1LNBGFESBSAEKAE-VRWDCWMNSA-N
International/Other Brands
Cholevue / Endobil / Endomirabil

Categories

ATC Codes
V08AC01 — Iodoxamic acid
Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1-carboxy-2-haloaromatic compound / 2-halobenzoic acid / 2-halobenzoic acid or derivatives / 4-halobenzoic acid / 4-halobenzoic acid or derivatives / Acylaminobenzoic acid or derivatives / Anilide / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide
show 25 more
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
NS1Y283HW4
CAS number
31127-82-9
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-{1-[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]-3,6,9,12-tetraoxapentadecan-15-amido}-2,4,6-triiodobenzoic acid
SMILES
OC(=O)C1=C(I)C(NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(I)C(C(O)=O)=C(I)C=C2I)=C(I)C=C1I

References

General References
Not Available
ChemSpider
32877
ChEBI
31707
ChEMBL
CHEMBL1615487
Wikipedia
Iodoxamic_acid

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 Solubility0.00284 mg/mLALOGPS
logP4.13ALOGPS
logP7.17Chemaxon
logS-5.7ALOGPS
pKa (Strongest Acidic)2.03Chemaxon
pKa (Strongest Basic)-3.8Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area169.72 Å2Chemaxon
Rotatable Bond Count19Chemaxon
Refractivity218.95 m3·mol-1Chemaxon
Polarizability88.78 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, Negative (Annotated)Predicted LC-MS/MSsplash10-00kb-1130049300-545bbd8b624afb30cfe9
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0010019100-98a208edf2ff9f5276cc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00r6-0000091500-3ad7b8f3c6fa8478d22b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-004m-1220192000-2123827b8cb4108ce3ac
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0000091300-d460b22719ef310178bb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0cfr-2100089200-ce9f403a3eae179abce8
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-283.82254
predicted
DeepCCS 1.0 (2019)
[M+H]+286.21814
predicted
DeepCCS 1.0 (2019)
[M+Na]+292.13068
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:43 / Updated at February 21, 2021 18:54