Mirisetron maleate
[CAS# 148611-75-0]

Identification

• Name: Mirisetron maleate
• Synonyms: But-2-Enedioic Acid; 1-Cyclohexyl-N-[(1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl]-4-Oxo-Quinoline-3-Carboxamide; But-2-Enedioic Acid; 1-Cyclohexyl-N-[(1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl]-4-Oxo-3-Quinolinecarboxamide; But-2-Enedioic Acid; 1-Cyclohexyl-4-Keto-N-[(1S,5R)-8-Methyl-8-Azabicyclo[3.2.1]Octan-3-Yl]Quinoline-3-Carboxamide
• Molecular Formula: C₂₈H₃₅N₃O₆
• Molecular Weight: 509.60
• CAS Registry Number: 148611-75-0
• SMILES: [C@@H]45N([C@@H](CC(NC(=O)C1=CN(C2=C(C1=O)C=CC=C2)C3CCCCC3)C4)CC5)C.O=C(O)\C=C/C(=O)O
• InChI: 1S/C24H31N3O2.C4H4O4/c1-26-18-11-12-19(26)14-16(13-18)25-24(29)21-15-27(17-7-3-2-4-8-17)22-10-6-5-9-20(22)23(21)28;5-3(6)1-2-4(7)8/h5-6,9-10,15-19H,2-4,7-8,11-14H2,1H3,(H,25,29);1-2H,(H,5,6)(H,7,8)/b;2-1-/t16-,18-,19+
• InChIKey: OQIHDZMOAKTHKW-XPQSVKLZSA-N

Properties

• Boiling point: 573.6°C at 760 mmHg (Cal.)
• Flash point: 300.7°C (Cal.)