HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Methyl-1H-indazole-3-carboxylic Anhydride
Granisetron EP impurity I · WXKUAYVKUKAIQR-UHFFFAOYSA-N · Granisetron anhydride Impurity · Granisetron Hydrochloride Impurity I · Granisetron Hydrochloride EP Impurity I · 1-methyl-1H-indazole-3-carboxylic anhydride · 1-Methyl-1H-indazole-3-carboxylic Acid Anhydride · Granisetron Impurity 9（Granisetron EP Impurity I）
Identifiers & Physical Properties
| CAS No. | 1363173-34-5 |
|---|---|
| Molecular formula | C18H14N4O3 |
| Average molar mass | 334.3 g/mol |
| SMILES | Cn1nc(C(=O)OC(=O)c2nn(C)c3ccccc23)c2ccccc21 |
| InChIKey | WXKUAYVKUKAIQR-UHFFFAOYSA-N |
| PubChem CID | 125374366 |
Chemical & Physical Properties
| XLogP | 3.2 |
|---|---|
| Topological polar surface area | 79 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 25 |
| Formal charge | 0 |
| Complexity | 496 |
| Melting point | 201-203°C |
| Boiling point | 557.4±25.0 °C(Predicted) |
| Density | 1.40±0.1 g/cm3(Predicted) |
| Storage conditions | Hygroscopic, -20°C Freezer, Under inert atmosphere |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| pKa (acidity coefficient) | -1.93±0.50(Predicted) |
| Physical state | Solid |
| Color | White |
| FDA UNII | PXB6SY68V2 |
Applications & Uses
Uses
1-Methyl-1H-indazole-3-carboxylic Acid Anhydride is an impurity of Granisetron (G780000), a specific serotonin (5HT3) receptor antagonist and a antiemetic agent.