Iobitridol
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Iobitridol
- Accession Number
- DB12407
- Description
Iobitridol has been used in trials studying the diagnostic of Diagnostic Imaging, Coronary Artery Disease, Type 2 Diabetes Mellitus, and Coronary Atherosclerosis.
- Type
- Small Molecule
- Groups
- Approved, Investigational
- Structure
- Weight
- Average: 835.169
Monoisotopic: 834.89596 - Chemical Formula
- C20H28I3N3O9
- Synonyms
- Iobitridol
Pharmacology
- Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset
- Indication
- Not Available
- Contraindications & Blackbox Warnings
- Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects
- 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
- Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data
- Toxicity
- Not Available
- Affected organisms
- 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
- Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets
- International/Other Brands
- Xenetix / Xenetix 300
Categories
- ATC Codes
- V08AB11 — Iobitridol
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzoic acids and derivatives
- Direct Parent
- 4-halobenzoic acids and derivatives
- Alternative Parents
- 2-halobenzoic acids and derivatives / Benzamides / Benzoyl derivatives / Iodobenzenes / Aryl iodides / Vinylogous halides / Tertiary carboxylic acid amides / Secondary alcohols / Propargyl-type 1,3-dipolar organic compounds / Carboximidic acids show 6 more
- Substituents
- 2-halobenzoic acid or derivatives / 4-halobenzoic acid or derivatives / Alcohol / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide / Benzamide / Benzoyl / Carboxamide group / Carboximidic acid show 19 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- organoiodine compound, benzenedicarboxamide, hexol (CHEBI:31701)
Chemical Identifiers
- UNII
- 182ECH14UH
- CAS number
- 136949-58-1
- InChI Key
- YLPBXIKWXNRACS-UHFFFAOYSA-N
- InChI
- InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)
- IUPAC Name
- N1,N3-bis(2,3-dihydroxypropyl)-5-[3-hydroxy-2-(hydroxymethyl)propanamido]-2,4,6-triiodo-N1,N3-dimethylbenzene-1,3-dicarboxamide
- SMILES
- CN(CC(O)CO)C(=O)C1=C(I)C(C(=O)N(C)CC(O)CO)=C(I)C(NC(=O)C(CO)CO)=C1I
References
- General References
- TITCK Product Information: Xenetix (iobitridol) solution for injection [Link]
- External Links
- KEGG Drug
- D01181
- PubChem Compound
- 65985
- PubChem Substance
- 347828653
- ChemSpider
- 59379
- 87639
- ChEBI
- 31701
- ChEMBL
- CHEMBL2107212
- Wikipedia
- Iobitridol
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Diagnostic Coronary Artery Atherosclerosis / Type 2 Diabetes Mellitus 1 4 Completed Diagnostic Coronary Artery Disease (CAD) 1 4 Completed Diagnostic Diagnostic Imaging 2 4 Completed Diagnostic Hepatocellular Carcinoma 1 0 Completed Prevention Contrast Induced Acute Kidney Injury 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, solution Parenteral 300 mg/ml Injection, solution Parenteral 350 mg/ml Injection, solution 250 MG Injection, solution 250 MG/ML Injection, solution 300 MG Injection, solution 300 MG/ML Injection, solution 350 MG/ML Injection, solution 350 MG Injection, solution Intravenous 250 MG Injection, solution Intravenous 300 MG Injection, solution Intravenous 350 MG Injection, solution Parenteral 250 mg Solution Injection, solution Parenteral 300 mg Injection, solution Parenteral 350 mg - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.788 mg/mL ALOGPS logP -2.5 ALOGPS logP -1.4 ChemAxon logS -3 ALOGPS pKa (Strongest Acidic) 11.64 ChemAxon pKa (Strongest Basic) -2.7 ChemAxon Physiological Charge 0 ChemAxon Hydrogen Acceptor Count 9 ChemAxon Hydrogen Donor Count 7 ChemAxon Polar Surface Area 191.1 Å2 ChemAxon Rotatable Bond Count 12 ChemAxon Refractivity 156.01 m3·mol-1 ChemAxon Polarizability 61.59 Å3 ChemAxon Number of Rings 1 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Drug created on October 20, 2016 22:16 / Updated on February 21, 2021 18:53