CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | Water 8 (mg/mL) |
|---|---|
| Stability/Shelf Life | Bulk: Protected from light, a sample stored for 90 days at 60 °C showed no decomposition (UV or TLC). Exposed to light, a sample at room temperature showed 3% decomposition after 90 days. Solution: A solution in 0.1 N HCl showed no decomposition after 4 days. As a 2% solution at room temperature with and without light, the compound is also stable for at least 4 days. When kept in the refrigerator for 15 days <1% decomposition occurs (TLC). |
COMPUTED DESCRIPTORS
| Molecular Weight | 201.18 g/mol |
|---|---|
| XLogP3 | -0.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 201.07495584 g/mol |
| Monoisotopic Mass | 201.07495584 g/mol |
| Topological Polar Surface Area | 93.1 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 196 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Misonidazole is under investigation in clinical trial NCT00038038 (Assessment of Head and Neck Tumor Hypoxia Using 18F-Fluoromisonidazole).