This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Iotroxic acid
- DrugBank Accession Number
- DB08945
- Background
Iotroxic acid is a contrast medium molecule.
- Type
- Small Molecule
- Groups
- Experimental, Withdrawn
- Structure
Structure for Iotroxic acid (DB08945)
- Weight
- Average: 1215.8131
Monoisotopic: 1215.528040704 - Chemical Formula
- C22H18I6N2O9
- Synonyms
- Acide iotroxique
- Acido iotroxico
- Acidum iotroxicum
- Iotroxic acid
- Iotroxinsaeure
- External IDs
- BRN 2800081
- SH 213 AB
- SH 213AB
- SH-213AB
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.- Product Ingredients
Ingredient UNII CAS InChI Key Iotroxate meglumine 389136RRO0 68890-05-1 WLQIGBUDSUVJCO-WZTVWXICSA-N - International/Other Brands
- Biliscopin (Bayer Schering) / Biliscopin DIC (Bayer Yakuhin)
Categories
- ATC Codes
- V08AC02 — Iotroxic 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
- 84C5PTP9X6
- CAS number
- 51022-74-3
- InChI Key
- JXMIBUGMYLQZGO-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
- IUPAC Name
- 3-{2-[2-(2-{[(3-carboxy-2,4,6-triiodophenyl)carbamoyl]methoxy}ethoxy)ethoxy]acetamido}-2,4,6-triiodobenzoic acid
- SMILES
- OC(=O)C1=C(I)C(NC(=O)COCCOCCOCC(=O)NC2=C(I)C(C(O)=O)=C(I)C=C2I)=C(I)C=C1I
References
- General References
- Not Available
- External Links
- ChemSpider
- 3609
- ChEBI
- 31716
- ChEMBL
- CHEMBL1651905
- Wikipedia
- Iotroxic_acid
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Solution Parenteral - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0047 mg/mL ALOGPS logP 3.42 ALOGPS logP 6.74 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 2.02 Chemaxon pKa (Strongest Basic) -3.9 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 160.49 Å2 Chemaxon Rotatable Bond Count 14 Chemaxon Refractivity 198.51 m3·mol-1 Chemaxon Polarizability 77.53 Å3 Chemaxon Number of Rings 2 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]- 263.3937 predictedDeepCCS 1.0 (2019) [M+H]+ 265.78928 predictedDeepCCS 1.0 (2019) [M+Na]+ 271.7018 predictedDeepCCS 1.0 (2019)
Drug created at May 27, 2014 16:02 / Updated at February 21, 2021 18:52