Iopydol
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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
- Iopydol
- DrugBank Accession Number
- DB13389
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 420.973
Monoisotopic: 420.86718 - Chemical Formula
- C8H9I2NO3
- Synonyms
- Iopydol
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
- ATC Codes
- V08AD02 — Iopydol
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Pyridines and derivatives
- Sub Class
- Halopyridines
- Direct Parent
- Polyhalopyridines
- Alternative Parents
- Dihydropyridines / Aryl iodides / Vinylogous amides / Heteroaromatic compounds / Secondary alcohols / Cyclic ketones / 1,2-diols / Azacyclic compounds / Primary alcohols / Organopnictogen compounds show 4 more
- Substituents
- 1,2-diol / Alcohol / Aromatic heteromonocyclic compound / Aryl halide / Aryl iodide / Azacycle / Cyclic ketone / Dihydropyridine / Heteroaromatic compound / Hydrocarbon derivative show 13 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- T4661K682A
- CAS number
- 5579-92-0
- InChI Key
- TZADDXVKYWMEHX-UHFFFAOYSA-N
- InChI
- InChI=1S/C8H9I2NO3/c9-6-2-11(1-5(13)4-12)3-7(10)8(6)14/h2-3,5,12-13H,1,4H2
- IUPAC Name
- 1-(2,3-dihydroxypropyl)-3,5-diiodo-1,4-dihydropyridin-4-one
- SMILES
- OCC(O)CN1C=C(I)C(=O)C(I)=C1
References
- General References
- Not Available
- External Links
- ChemSpider
- 20443
- ChEBI
- 136000
- ChEMBL
- CHEMBL2104393
- Wikipedia
- Iopydol
Clinical Trials
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 4.82 mg/mL ALOGPS logP 0.27 ALOGPS logP 1.31 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 13.98 Chemaxon pKa (Strongest Basic) -3 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 60.77 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 71.86 m3·mol-1 Chemaxon Polarizability 27.86 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0nmi-3209100000-86347821a9423c87226f Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00di-0001900000-f313ac1ac289c30dfa14 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0009300000-00246d746a5d765205c9 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0kmr-5006900000-049204cb75997f17985e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0a4i-0029000000-b09a557dd61308e3f554 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-053r-0329000000-2cfb770e2a29a2f471f8 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-0901000000-518db8fd86730bacec0b Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 159.00339 predictedDeepCCS 1.0 (2019) [M+H]+ 161.47694 predictedDeepCCS 1.0 (2019) [M+Na]+ 168.8495 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:41 / Updated at February 21, 2021 18:54