| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1995) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | V08AB05 |
| UNII: | 712BAC33MZ |
Structure
| InChI Key | DGAIEPBNLOQYER-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H24I3N3O8 |
| Molecular Weight | 791.11 |
| AlogP | -0.41 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 6.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 168.66 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 32.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | -2.05E+00 | - | EXP |
| Henry's Law Constant | 1.00E-28 | atm-m3/mole | EST |
| Atmospheric OH Rate Constant | 6.50E-11 | cm3/molecule-sec | EST |
| Water Solubility | 23.8 | mg/L | EST |
| Vapor Pressure | 1.59E-28 | mm Hg | EST |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| None | Diagnostic agent | DailyMed |
Indications
| Mesh Heading | Maximum Phase | Reference |
|---|---|---|
| Coronary Artery Disease; Coronary Disease; Myocardial Ischemia | Phase 4 | ClinicalTrials |
| Infarction; Myocardial Infarction | Phase 4 | ClinicalTrials |
| Kidney Failure, Chronic; Renal Insufficiency | Phase 4 | ClinicalTrials |
| Hypothyroidism | Phase 4 | ClinicalTrials |
Related Entries
MCS
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 73334-07-3 |
| ChEBI | 63578 |
| ChEMBL | CHEMBL1725 |
| DrugBank | DB09156 |
| DrugCentral | 1468 |
| EPA CompTox | DTXSID0023163 |
| FDA SRS | 712BAC33MZ |
| Human Metabolome Database | HMDB0041910 |
| PubChem | 3736 |
| SureChEMBL | SCHEMBL24546 |
CONTENTS