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
- Iobenzamic acid
- DrugBank Accession Number
- DB13428
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Iobenzamic acid (DB13428)
- Weight
- Average: 662.004
Monoisotopic: 661.80603 - Chemical Formula
- C16H13I3N2O3
- Synonyms
- Iobenzamic acid
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
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
Categories
- ATC Codes
- V08AC05 — Iobenzamic acid
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Anilides
- Direct Parent
- Benzanilides
- Alternative Parents
- 2-halobenzoic acids and derivatives / 4-halobenzoic acids and derivatives / Aminobenzoic acids and derivatives / Benzamides / Aniline and substituted anilines / Benzoyl derivatives / Iodobenzenes / Aryl iodides / Vinylogous halides / Tertiary carboxylic acid amides show 9 more
- Substituents
- 2-halobenzoic acid or derivatives / 4-halobenzoic acid or derivatives / Amine / Amino acid / Amino acid or derivatives / Aminobenzoic acid or derivatives / Aniline or substituted anilines / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide show 24 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- F72UWG2SWK
- CAS number
- 3115-05-7
- InChI Key
- FJYJNLIEGUTPIJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H13I3N2O3/c17-10-8-11(18)15(20)14(19)13(10)16(24)21(7-6-12(22)23)9-4-2-1-3-5-9/h1-5,8H,6-7,20H2,(H,22,23)
- IUPAC Name
- 3-[1-(3-amino-2,4,6-triiodophenyl)-N-phenylformamido]propanoic acid
- SMILES
- NC1=C(I)C=C(I)C(C(=O)N(CCC(O)=O)C2=CC=CC=C2)=C1I
References
- General References
- Not Available
- External Links
- ChemSpider
- 17355
- ChEBI
- 31700
- ChEMBL
- CHEMBL2106317
- ZINC
- ZINC000004216580
- Wikipedia
- Iobenzamic_acid
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data
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
Property Value Source Water Solubility 0.00929 mg/mL ALOGPS logP 3.46 ALOGPS logP 4.48 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 2.7 Chemaxon pKa (Strongest Basic) 0.93 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 83.63 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 120.28 m3·mol-1 Chemaxon Polarizability 44.65 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 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]- 198.91142 predictedDeepCCS 1.0 (2019) [M+H]+ 202.02144 predictedDeepCCS 1.0 (2019) [M+Na]+ 210.62923 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54