Secoverine
[CAS# 57558-44-8]

Identification

• Name: Secoverine
• Synonyms: (4-Cyclohexyl-4-Oxo-Butyl)-Ethyl-[2-(4-Methoxyphenyl)-1-Methyl-Ethyl]Ammonium Chloride; (4-Cyclohexyl-4-Oxobutyl)-Ethyl-[2-(4-Methoxyphenyl)-1-Methylethyl]Ammonium Chloride; (4-Cyclohexyl-4-Keto-Butyl)-Ethyl-[2-(4-Methoxyphenyl)-1-Methyl-Ethyl]Ammonium Chloride
• Molecular Formula: C₂₂H₃₆ClNO₂
• Molecular Weight: 381.98
• CAS Registry Number: 57558-44-8
• SMILES: C1=CC(=CC=C1CC([NH+](CCCC(C2CCCCC2)=O)CC)C)OC.[Cl-]
• InChI: 1S/C22H35NO2.ClH/c1-4-23(16-8-11-22(24)20-9-6-5-7-10-20)18(2)17-19-12-14-21(25-3)15-13-19;/h12-15,18,20H,4-11,16-17H2,1-3H3;1H
• InChIKey: YBNFCHDBXWWVCU-UHFFFAOYSA-N

Properties

• Boiling point: 471.8°C at 760 mmHg (Cal.)
• Flash point: 239.1°C (Cal.)