Butobendin
[CAS# 55769-64-7]

Identification

• Name: Butobendin
• Synonyms: Methyl-[2-[Methyl-[(1R)-1-[(3,4,5-Trimethoxybenzoyl)Oxymethyl]Propyl]Ammonio]Ethyl]-[(1R)-1-[(3,4,5-Trimethoxybenzoyl)Oxymethyl]Propyl]Ammonium Dichloride; Methyl-[2-[Methyl-[(1R)-1-[[Oxo-(3,4,5-Trimethoxyphenyl)Methoxy]Methyl]Propyl]Ammonio]Ethyl]-[(1R)-1-[[Oxo-(3,4,5-Trimethoxyphenyl)Methoxy]Methyl]Propyl]Ammonium Dichloride; Methyl-[2-[Methyl-[(2R)-1-(3,4,5-Trimethoxyphenyl)Carbonyloxybutan-2-Yl]Azaniumyl]Ethyl]-[(2R)-1-(3,4,5-Trimethoxyphenyl)Carbonyloxybutan-2-Yl]Azanium Dichloride
• Molecular Formula: C₃₂H₅₀Cl₂N₂O₁₀
• Molecular Weight: 693.66
• CAS Registry Number: 55769-64-7
• SMILES: [C@@H](COC(C1=CC(=C(C(=C1)OC)OC)OC)=O)([NH+](CC[NH+]([C@@H](COC(C2=CC(=C(C(=C2)OC)OC)OC)=O)CC)C)C)CC.[Cl-].[Cl-]
• InChI: 1S/C32H48N2O10.2ClH/c1-11-23(19-43-31(35)21-15-25(37-5)29(41-9)26(16-21)38-6)33(3)13-14-34(4)24(12-2)20-44-32(36)22-17-27(39-7)30(42-10)28(18-22)40-8;;/h15-18,23-24H,11-14,19-20H2,1-10H3;2*1H/t23-,24-;;/m1../s1
• InChIKey: NNSPSTCLUNWYSE-NILKIKDOSA-N

Properties

• Boiling point: 628.1°C at 760 mmHg (Cal.)
• Flash point: 333.7°C (Cal.)