1-Methyl-N-(8-Methyl-8-Azabicyclo[3.2.1]Oct-3-Yl)-1H-Indazole-3-Carboxamide
[CAS# 109216-58-2]

Identification

• Name: 1-Methyl-N-(8-Methyl-8-Azabicyclo[3.2.1]Oct-3-Yl)-1H-Indazole-3-Carboxamide
• Synonyms: (granisetron)1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide
• Molecular Formula: C₁₇H₂₂N₄O
• Molecular Weight: 298.38
• CAS Registry Number: 109216-58-2
• SMILES: CN1[C@@H]2CC[C@H]1C[C@@H](C2)NC(=O)C3=NN(C4=CC=CC=C43)C
• InChI: 1S/C17H22N4O/c1-20-12-7-8-13(20)10-11(9-12)18-17(22)16-14-5-3-4-6-15(14)21(2)19-16/h3-6,11-13H,7-10H2,1-2H3,(H,18,22)
• InChIKey: DDHAJFBBJWHSBR-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 522.2±40.0°C at 760 mmHg (Cal.)
• Flash point: 269.6±27.3°C (Cal.)
• Refractive index: 1.707 (Cal.)