| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1985) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | V08AB04 |
| UNII: | JR13W81H44 |
Structure
| InChI Key | XQZXYNRDCRIARQ-LURJTMIESA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H22I3N3O8 |
| Molecular Weight | 777.09 |
| AlogP | -1.01 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 8.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 188.45 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 31.0 |
Experimental and Estimated Properties
| Property Name | Value | Unit | Method |
|---|---|---|---|
| log P (octanol-water) | -2.42E+00 | - | EXP |
| Henry's Law Constant | 1.14E-25 | atm-m3/mole | EST |
| Atmospheric OH Rate Constant | 5.77E-11 | cm3/molecule-sec | EST |
| Water Solubility | 1.40E+05 | mg/L | EXP |
| Vapor Pressure | 1.33E-30 | mm Hg | EST |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| None | Diagnostic agent | DailyMed |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Breast Neoplasms | 1 | D001943 | ClinicalTrials |
| Carcinoma, Renal Cell | 0 | D002292 | ClinicalTrials |
| Urinary Bladder Neoplasms | 0 | D001749 | ClinicalTrials |
| Prostatic Neoplasms, Castration-Resistant | 0 | D064129 | ClinicalTrials |
Side Effects from Label
Side Effects (PT)
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 60166-93-0 |
| ChEBI | 31711 |
| ChEMBL | CHEMBL1200932 |
| DrugBank | DB08947 |
| DrugCentral | 1464 |
| EPA CompTox | DTXSID1023158 |
| FDA SRS | JR13W81H44 |
| PubChem | 65492 |
| SureChEMBL | SCHEMBL27781 |
| ZINC | ZINC000003830947 |
CONTENTS