564-36-3

Basic information

• Product Name: ERGOCORNINE
• Synonyms: ERGOCORNINE;12'-HYDROXY-2',5'-ALPHA-BIS(1-METHYL-ETHYL)ERGOTAMAN-3',6',18-TRIONE;18-trione,12’-hydroxy-2’,5’-bis(1-methylethyl)-6(5’-alpha)-ergotaman-3;ergocornin;12′-Hydroxy-2′,5′-α-bis(1-methyl-ethyl)ergotaman-3′,6′,18-trione;ERGOCORNINE >95% DOPAMINE RECEPTOR AGO;12'-Hydroxy-2',5'α-diisopropylergotaman-3',6',18-trione;(5'α)-12'-Hydroxy-2',5'-bis(1-Methylethyl)ergotaMan-3',6',18-trione
• CAS NO: 564-36-3
• Molecular Formula: C₃₁H₃₉N₅O₅
• Molecular Weight: 561.67
• EINECS: 209-272-7
• Product Categories: Aromatics;Heterocycles;Inhibitors;Intermediates & Fine Chemicals;Neurochemicals;Pharmaceuticals
• Mol File: 564-36-3.mol
• Article Data: 1

Chemical Properties

• Melting Point: 182-184℃ (decomposition) (methanol )
• Boiling Point: 628.48°C (rough estimate)
• Flash Point: 472.9°C
• Appearance: white/solid
• Density: 1.1897 (rough estimate)
• Vapor Pressure: 2.18E-31mmHg at 25°C
• Refractive Index: 1.7500 (estimate)
• Solubility: 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.4 mg/mL
• PKA: 9.58±0.60(Predicted)
• CAS DataBase Reference: ERGOCORNINE(CAS DataBase Reference)
• NIST Chemistry Reference: ERGOCORNINE(564-36-3)
• EPA Substance Registry System: ERGOCORNINE(564-36-3)

Safety Data

• RIDADR: UN 1544 6.1/PG 3
• WGK Germany: 3
• RTECS: KE7630000
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 564-36-3(Hazardous Substances Data)

Usage

Description

ERGOCORNINE is a natural ergot alkaloid derived from lysergic acid, characterized by its unique structure featuring a hydroxy group at the 12' position, isopropyl groups at the 2' and 5'alpha positions, and oxo groups at positions 3', 6', and 18. It is a component of Ergotoxine and is isolated from Ergot, a fungus that grows on rye and other grains.

Uses

Used in Pharmaceutical Industry:
ERGOCORNINE is used as a pharmaceutical compound for its various therapeutic applications. It is known for its effects on the central nervous system, blood vessels, and uterine muscles, making it useful in the treatment of certain medical conditions.
Used in Research and Development:
ERGOCORNINE is utilized as a research compound for studying the structure, properties, and potential applications of ergot alkaloids. Its unique chemical structure and biological activities make it an important tool in the development of new drugs and therapies.
Used in Veterinary Medicine:
ERGOCORNINE is also used as a veterinary drug for the treatment of specific conditions in animals, taking advantage of its effects on the central nervous system and blood vessels.
Used in Ergotamine Preparations:
ERGOCORNINE is used as an ingredient in the preparation of ergotamine, a medication used to treat migraine headaches and to prevent labor during childbirth. Its presence in these preparations contributes to the overall efficacy and therapeutic action of the drug.

Purification Methods

It crystallises with solvent of crystallisation from MeOH. [Stadler et al. Helv Chim Acta 52 1549 1969, Beilstein 25 III/IV 963, 27 II 860.]

InChI:InChI=1/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1

Downstream Products

• 564-37-4 ergocorninine 

Relevant articles and documents

The synthesis of alkaloids of the ergotoxin group. 70. Section on ergot alkaloids

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