O-4-(Ethoxybutyl)berbamine
[CAS# 106006-09-1]

Identification

• Name: O-4-(Ethoxybutyl)berbamine
• Synonyms: O-(4-Ethoxybutyl)Berbamine; O-4-(Ethoxybutyl)Berbamine
• Molecular Formula: C₄₃H₅₂N₂O₇
• Molecular Weight: 708.89
• CAS Registry Number: 106006-09-1
• SMILES: [C@H]16N(CCC2=CC(=C(OC)C(=C12)OC3=C(OC)C=C4C(=C3)[C@@H](N(CC4)C)CC7=CC=C(OC5=CC(=CC=C5OCCCCOCC)C6)C=C7)OC)C
• InChI: 1S/C43H52N2O7/c1-7-49-20-8-9-21-50-36-15-12-29-23-35-41-31(17-19-45(35)3)26-40(47-5)42(48-6)43(41)52-39-27-33-30(25-37(39)46-4)16-18-44(2)34(33)22-28-10-13-32(14-11-28)51-38(36)24-29/h10-15,24-27,34-35H,7-9,16-23H2,1-6H3/t34-,35+/m0/s1
• InChIKey: MHFFPFLMIZYTNJ-OIDHKYIRSA-N

Properties

• Density: 1.143g/cm³ (Cal.)
• Boiling point: 771.832°C at 760 mmHg (Cal.)
• Flash point: 180.007°C (Cal.)