This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Summary
Iobitridol is an iodine-based contrast agent used with X-ray or CT imaging.
- Generic Name
- Iobitridol
- DrugBank Accession Number
- DB12407
- Background
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
Structure for Iobitridol (DB12407)
- Weight
- Average: 835.169
Monoisotopic: 834.89596 - Chemical Formula
- C20H28I3N3O9
- Synonyms
- Iobitridol
Pharmacology
- Indication
Not Available
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Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- 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
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- 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)
- Affected organisms
- Not Available
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 Hepatocellular Carcinoma 1 4 Completed Diagnostic Imaging procedure 2 0 Completed Prevention Contrast Induced Acute Kidney Injury 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Injection, solution Injection, solution Intravenous Injection, solution Parenteral Injection Intravascular 54.84 g Solution 300 mg/1ml Injection Intravascular 65.81 g Injection, solution Parenteral 300 mg/ml Solution 350 mg/1ml Injection Intravascular 76.78 g - 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 225.51411 predictedDeepCCS 1.0 (2019) [M+H]+ 227.87212 predictedDeepCCS 1.0 (2019) [M+Na]+ 233.96529 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:16 / Updated at May 27, 2021 02:57