639-81-6

Basic information

• Product Name: ERGOTAMININE (100 MG) (LIST CHEMICAL)
• Synonyms: ERGOTAMININE (100 MG) (LIST CHEMICAL);(8α)-12'-Hydroxy-2'-methyl-5'α-(phenylmethyl)ergotaman-3',6',18-trione;XCGSFFUVFURLIX-BRMNWJGKSA-N
• CAS NO: 639-81-6
• Molecular Formula: C₃₃H₃₅N₅O₅
• Molecular Weight: 580.65356
• Mol File: 639-81-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 252°C (rough estimate)
• Boiling Point: 639.99°C (rough estimate)
• Appearance: /
• Density: 1.2118 (rough estimate)
• Refractive Index: 1.7500 (estimate)
• CAS DataBase Reference: ERGOTAMININE (100 MG) (LIST CHEMICAL)(CAS DataBase Reference)
• NIST Chemistry Reference: ERGOTAMININE (100 MG) (LIST CHEMICAL)(639-81-6)
• EPA Substance Registry System: ERGOTAMININE (100 MG) (LIST CHEMICAL)(639-81-6)

Safety Data

• RIDADR: 1544
• HazardClass: 6.1(b)
• PackingGroup: III
• Hazardous Substances Data: 639-81-6(Hazardous Substances Data)

Usage

Uses

Ergotaminine is the Epimer of Ergotamine (E599550), a antimigraine agent.

Purification Methods

It is less soluble than ergotamine, and its solubility is 0.1% in boiling ethanol and 0.07% in methanol. [Stoll Helv Chim Acta 28 1299 and 1306 1945, Beilstein 25 II 860, 862, 25 III/IV 966.]

Upstream product

• 113-15-5 ergotamine 
• 113-15-5 ergotamine 

Downstream Products

• 113-15-5 ergotaminine 

Relevant articles and documents

CONTRIBUTIONS TO THE STUDY OF EPIMERIZATION OF POLYPEPTIDIC ERGOT ALKALOIDS AT C-8

The influence of pH and nature of the solvent upon the epimerization rate of polypeptidic ergot alkaloids (ergotamine, ergocristine, ergocryptine and ergocornine) at C-8 was studied.It was established that, in aqueous solutions, epimerization is minimum within 2.5-4.0 pH range.The first-order rate constants of epimerization in various organic solvents of the alkaloids in question were evaluated; they have shown that the epimerization rate is maximum in methanol, which is the most polar of the solvents tested.Epimerization at C-8 of ergotamine is a first-order reaction over a time interval much shorter than in epimerization of alkaloids from ergotoxine group, more so with methanol as solvent.Ether, chloroform and benzene have ensured an adequate stability.