25867-19-0

Basic information

• Product Name: lycaconitine
• Synonyms: lycaconitine;4-[[[2-(2,5-Dioxo-1-pyrrolidinyl)benzoyl]oxy]methyl]-20-ethyl-1α,6β,14α,16β-tetramethoxyaconitane-7,8-diol
• CAS NO: 25867-19-0
• Molecular Formula: C36H48N2O10
• Molecular Weight: 668.77372
• Mol File: 25867-19-0.mol
• Article Data: 0

Chemical Properties

• Melting Point: 111-114°
• Boiling Point: 803.2°C at 760 mmHg
• Flash Point: 439.6°C
• Appearance: /
• Density: 1.39g/cm³
• Vapor Pressure: 3.12E-27mmHg at 25°C
• Refractive Index: 1.632
• PKA: 12.18±0.70(Predicted)
• CAS DataBase Reference: lycaconitine(CAS DataBase Reference)
• NIST Chemistry Reference: lycaconitine(25867-19-0)
• EPA Substance Registry System: lycaconitine(25867-19-0)

Safety Data

• Hazardous Substances Data: 25867-19-0(Hazardous Substances Data)

Usage

Description

Lycaconitine, an alkaloid derived from the roots of Aconitum lycoctonum, is amorphous, weakly basic, and does not yield crystalline derivatives. It is readily soluble in CHCl3, EtOH, C6H6, and CS2 but only slightly soluble in Et20 or H2O. Initially assigned the formula C36H4601ON2, it belongs to the aconitine group of ester alkaloids. Upon hydrolysis, it yields various products, including succinic acid, anthranoyllycoctonine, lycoctonic acid (succinylanthranilic acid), and lycoctonine, with proposed formulas C2sH3907N, C2oH330sN, and C2sH4107N. The alternative formula C27H3406N2, suggested by Kuzovkov and Platonova, appears to be erroneous based on the hydrolysis products.

Uses

Used in Pharmaceutical Industry:
Lycaconitine is used as a pharmaceutical compound for its potential therapeutic applications. Its weakly basic nature and solubility in various organic solvents make it a candidate for drug development and formulation.
Used in Chemical Research:
Lycaconitine serves as a subject of interest in chemical research due to its unique properties and the confusion surrounding its molecular formula. Further investigation into its structure and hydrolysis products can contribute to a better understanding of its chemical behavior and potential applications.
Used in Toxicological Studies:
As an alkaloid with potential pharmacological effects, lycaconitine can be used in toxicological studies to evaluate its safety, efficacy, and potential side effects when used in various applications, including pharmaceuticals and traditional medicine.

References

Dragendorff, Spohn.,Jahresb. Fortschr. Chern., 1394 (1884) Marion, Manske., Can. J. Res., 24B, 1 (1946) Kuzovkov, Platonova., J. Gen. Chern., USSR, 29, 2782 (1959)

InChI:InChI=1/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20?,21?,23-,24-,27+,28-,29+,30-,32?,33-,34+,35?,36?/m0/s1