Malonic Acid - 1-[(2-Methyl-1H-Indol-4-Yl)Oxy]-3-[(2-Methyl-2-Propanyl)Amino]-2-Propanyl Benzoate (1:1)
[CAS# 62658-64-4]

Identification

• Name: Malonic Acid - 1-[(2-Methyl-1H-Indol-4-Yl)Oxy]-3-[(2-Methyl-2-Propanyl)Amino]-2-Propanyl Benzoate (1:1)
• Synonyms: 2-Propanol, 1-((1,1-dimethylethyl)amino)-3-((2-methyl-1H-indol-4-yl)oxy)-, benzoate (ester), propanedioate (1:1)(salt); Bopindolol hydrogen malonate; Bopindolol malonate
• Molecular Formula: C₂₆H₃₂N₂O₇
• Molecular Weight: 484.54
• CAS Registry Number: 62658-64-4
• SMILES: O=C(O)CC(=O)O.O=C(OC(CNC(C)(C)C)COc1cccc2c1cc(n2)C)c3ccccc3
• InChI: 1S/C23H28N2O3.C3H4O4/c1-16-13-19-20(25-16)11-8-12-21(19)27-15-18(14-24-23(2,3)4)28-22(26)17-9-6-5-7-10-17;4-2(5)1-3(6)7/h5-13,18,24-25H,14-15H2,1-4H3;1H2,(H,4,5)(H,6,7)
• InChIKey: LDOONRJGLKHGJI-UHFFFAOYSA-N

Properties

• Boiling point: 557°C at 760 mmHg (Cal.)
• Flash point: 290.7°C (Cal.)