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

Uses

Different sources of media describe the Uses of 564-36-3 differently. You can refer to the following data:
1. Ergocornine is a natural ergot alkaloid derived from lysergic acid. Ergocornine is a component of Ergotoxine. Ergocornine was isolated from Ergot.
2. Ergocornine is a natural ergot alkaloid derived from lysergic acid. Ergocornine is a component of Ergotoxine. Ergocornine is isolated from Ergot.

Definition

ChEBI: Ergotaman bearing 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 natural ergot alkaloid.

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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