Isoergocristine
[CAS# 511-07-9]

Identification

• Name: Isoergocristine
• Synonyms: (5'alpha,8alpha)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione
• Molecular Formula: C₃₅H₃₉N₅O₅
• Molecular Weight: 609.71
• CAS Registry Number: 511-07-9
• EC Number: 208-119-1

Properties

• Solubility: Insoluble (2.1E^-4 g/L) (25 ºC), Calc.^*
• Density: 1.43±0.1 g/cm³ (20 ºC 760 Torr), Calc.^*
• Melting point: 226 ºC (decomp) (ethanol )^**

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

^** Stoll, A.; Helvetica Chimica Acta 1943, V26, P1570-1601.

Safety Data

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	3	H331
Acute toxicity	Acute Tox.	3	H311
Acute toxicity	Acute Tox.	3	H301