Butobendine
[CAS# 55769-65-8]

Identification

• Name: Butobendine
• Synonyms: [(2S)-2-Ethyl-1-Methylamino-5-[Methylamino-(3,4,5-Trimethoxybenzoyl)Oxy-Methyl]Heptyl] 3,4,5-Trimethoxybenzoate; 3,4,5-Trimethoxybenzoic Acid [(2S)-2-Ethyl-1-Methylamino-5-[Methylamino-[Oxo-(3,4,5-Trimethoxyphenyl)Methoxy]Methyl]Heptyl] Ester; 3,4,5-Trimethoxybenzoic Acid [(2S)-2-Ethyl-1-Methylamino-5-[Methylamino-(3,4,5-Trimethoxybenzoyl)Oxy-Methyl]Heptyl] Ester
• Molecular Formula: C₃₂H₄₈N₂O₁₀
• Molecular Weight: 620.74
• CAS Registry Number: 55769-65-8
• SMILES: [C@H](CCC(C(NC)OC(C1=CC(=C(C(=C1)OC)OC)OC)=O)CC)(C(NC)OC(C2=CC(=C(C(=C2)OC)OC)OC)=O)CC
• InChI: 1S/C32H48N2O10/c1-11-19(29(33-3)43-31(35)21-15-23(37-5)27(41-9)24(16-21)38-6)13-14-20(12-2)30(34-4)44-32(36)22-17-25(39-7)28(42-10)26(18-22)40-8/h15-20,29-30,33-34H,11-14H2,1-10H3/t19-,20?,29?,30?/m0/s1
• InChIKey: BHXWZZRVYBZYDN-PMJAMFPQSA-N

Properties

• Density: 1.12g/cm³ (Cal.)
• Boiling point: 648.512°C at 760 mmHg (Cal.)
• Flash point: 346.008°C (Cal.)