Ioforminol
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Ioforminol
- DrugBank Accession Number
- DB12439
- Background
Ioforminol has been used in trials studying the diagnostic of Cardio Renal Safety in High-risk Elderly Subjects Undergoing a Coronary CATH With or Without PCI.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1522.137
Monoisotopic: 1521.68198 - Chemical Formula
- C33H40I6N6O15
- Synonyms
- Ioforminol
- External IDs
- Ge 145
Pharmacology
- Indication
Not Available
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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
- 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
- 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 and derivatives / 4-halobenzoic acids and derivatives / Anilides / Benzamides / Benzoyl derivatives / Iodobenzenes / Aryl iodides / Vinylogous halides / Tertiary carboxylic acid amides / Secondary carboxylic acid amides show 8 more
- Substituents
- 2-halobenzoic acid or derivatives / 4-halobenzoic acid or derivatives / Acylaminobenzoic acid or derivatives / Alcohol / Anilide / Aromatic homomonocyclic compound / Aryl halide / Aryl iodide / Benzamide / Benzoyl show 20 more
- Molecular Framework
- Aromatic homomonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 95FNF21CDN
- CAS number
- 1095110-48-7
- InChI Key
- BFVVDRUCXCIALU-UHFFFAOYSA-N
- InChI
- InChI=1S/C33H40I6N6O15/c34-22-18(30(57)40-1-13(52)7-46)24(36)28(25(37)19(22)31(58)41-2-14(53)8-47)44(11-50)5-17(56)6-45(12-51)29-26(38)20(32(59)42-3-15(54)9-48)23(35)21(27(29)39)33(60)43-4-16(55)10-49/h11-17,46-49,52-56H,1-10H2,(H,40,57)(H,41,58)(H,42,59)(H,43,60)
- IUPAC Name
- 5-{N-[3-(N-{3,5-bis[(2,3-dihydroxypropyl)carbamoyl]-2,4,6-triiodophenyl}formamido)-2-hydroxypropyl]formamido}-N1,N3-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
- SMILES
- OCC(O)CNC(=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(N(CC(O)CN(C=O)C2=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C2I)C=O)=C1I
References
- General References
- Not Available
- External Links
- PubChem Compound
- 25222171
- PubChem Substance
- 347828680
- ChemSpider
- 26231033
- ChEMBL
- CHEMBL2219417
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Diagnostic Congestive Heart Failure (CHF) / Diabetes Mellitus / Renal Insufficiency,Chronic 1 1, 2 Completed Diagnostic Healthy Volunteers (HV) 2
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 0.286 mg/mL ALOGPS logP -3.1 ALOGPS logP -2.2 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 11.44 Chemaxon pKa (Strongest Basic) -3.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 15 Chemaxon Hydrogen Donor Count 13 Chemaxon Polar Surface Area 339.09 Å2 Chemaxon Rotatable Bond Count 22 Chemaxon Refractivity 268.18 m3·mol-1 Chemaxon Polarizability 109.39 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]- 325.95682 predictedDeepCCS 1.0 (2019) [M+H]+ 328.0648 predictedDeepCCS 1.0 (2019) [M+Na]+ 333.8052 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:23 / Updated at February 21, 2021 18:53