Hexobendine
[CAS# 54-03-5]

Identification

• Name: Hexobendine
• Synonyms: 3,4,5-Trimethoxybenzoic Acid 3-[Methyl-[2-[Methyl-[3-[Oxo-(3,4,5-Trimethoxyphenyl)Methoxy]Propyl]Amino]Ethyl]Amino]Propyl Ester; 3,4,5-Trimethoxybenzoic Acid 3-[Methyl-[2-[Methyl-[3-(3,4,5-Trimethoxybenzoyl)Oxypropyl]Amino]Ethyl]Amino]Propyl Ester; 3-[Methyl-[2-[Methyl-[3-(3,4,5-Trimethoxyphenyl)Carbonyloxypropyl]Amino]Ethyl]Amino]Propyl 3,4,5-Trimethoxybenzoate
• Molecular Formula: C₃₀H₄₄N₂O₁₀
• Molecular Weight: 592.69
• CAS Registry Number: 54-03-5
• EINECS: 200-189-1
• SMILES: C2=C(C(OCCCN(CCN(CCCOC(C1=CC(=C(OC)C(=C1)OC)OC)=O)C)C)=O)C=C(C(=C2OC)OC)OC
• InChI: 1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3
• InChIKey: KRQAMFQCSAJCRH-UHFFFAOYSA-N

Properties

• Density: 1.1±0.1g/cm³ (Cal.)
• Boiling point: 623.3±48.0°C at 760 mmHg (Cal.)
• Flash point: 330.8±29.6°C (Cal.)