520-68-3

Basic information

• Product Name: ECHIMIDINE
• Synonyms: ECHIMIDINE;7-Angelyl-9-echimidinylretronecine;C10299
• CAS NO: 520-68-3
• Molecular Formula: C20H31NO7
• Molecular Weight: 397.465
• Mol File: 520-68-3.mol
• Article Data: 0

Chemical Properties

• Boiling Point: 520.9°C (rough estimate)
• Flash Point: 277.8°C
• Appearance: /
• Density: 1.26±0.1 g/cm3 (20 ºC 760 Torr)
• Vapor Pressure: 1.04E-13mmHg at 25°C
• Refractive Index: 1.5614 (estimate)
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 12.45±0.29(Predicted)
• CAS DataBase Reference: ECHIMIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: ECHIMIDINE(520-68-3)
• EPA Substance Registry System: ECHIMIDINE(520-68-3)

Safety Data

• RIDADR: 1544
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 520-68-3(Hazardous Substances Data)

Usage

Description

ECHIMIDINE, also known as (+)-Echimidine, is a hepatotoxic pyrrolizidine alkaloid derived from plants such as comfrey. It is known for its genotoxic and carcinogenic properties, which can induce harmful effects on the liver and potentially lead to cancer.

Uses

Used in Pharmaceutical Research:
ECHIMIDINE is used as a research compound for studying its hepatotoxic and genotoxic effects, as well as its carcinogenic properties. Understanding these characteristics can help in the development of potential treatments or preventive measures against liver damage and cancer.
Used in Toxicology Studies:
ECHIMIDINE is used as a toxicological agent to investigate the mechanisms of liver toxicity and carcinogenesis. This can contribute to the advancement of knowledge in the field of toxicology and the development of safer alternatives or antidotes for exposure to such harmful substances.
Used in Plant Research:
ECHIMIDINE is used as a bioactive compound in the study of plant chemistry, particularly in comfrey and other plants where it is naturally found. Research on ECHIMIDINE can provide insights into the biosynthesis, distribution, and ecological roles of pyrrolizidine alkaloids in plants.
Used in Regulatory and Safety Assessments:
ECHIMIDINE is used as a reference substance in the assessment of safety and regulatory guidelines for the use of comfrey and other plants containing pyrrolizidine alkaloids. This helps in establishing safety standards and guidelines to minimize the risk of exposure to these toxic compounds.

InChI:InChI=1/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1