alpha-Ergosine
[CAS# 561-94-4]

Identification

• Name: alpha-Ergosine
• Synonyms: NSC 122047; (5'alpha)-12'-Hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione
• Molecular Formula: C₃₀H₃₇N₅O₅
• Molecular Weight: 547.65
• CAS Registry Number: 561-94-4
• EC Number: 209-226-6

Properties

• Solubility: Insoluble (2.6E^-3 g/L) (25 ºC), Calc.^*
• Density: 1.42±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 224-225 ºC^**
• Refractive index: 1.603^***

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (©1994-2014 ACD/Labs)

^** Stadler, P. A.; Helvetica Chimica Acta 1964, V47(7), P1911-21.

^*** Kofler, Adelheid; Archiv der Pharmazie und Berichte der Deutschen Pharmazeutischen Gesellschaft 1938, V276, P40-5.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	3	H301
Acute toxicity	Acute Tox.	4	H312
Acute toxicity	Acute Tox.	4	H332
Reproductive toxicity	Repr.	2	H361
Reproductive toxicity	Lact.	-	H362
Acute toxicity	Acute Tox.	4	H302