Propisergide
[CAS# 5793-04-4]

Identification

• Name: Propisergide
• Synonyms: 1-Methylergonovine; 9,10-Didehydro-N-((S)-2-Hydroxy-1-Methylethyl)-1,6-Dimethylergoline-8 Beta-Carboxamide; Ergoline-8-Carboxamide, 9,10-Didehydro-N-(2-Hydroxy-1-Methylethyl)-1,6-Dimethyl-, (8Beta(S))-
• Molecular Formula: C₂₀H₂₅N₃O₂
• Molecular Weight: 339.44
• CAS Registry Number: 5793-04-4
• SMILES: [C@@H]14C(=C[C@@H](C(NC(CO)C)=O)CN1C)C2=CC=CC3=C2C(=C[N]3C)C4
• InChI: 1S/C20H25N3O2/c1-12(11-24)21-20(25)14-7-16-15-5-4-6-17-19(15)13(9-22(17)2)8-18(16)23(3)10-14/h4-7,9,12,14,18,24H,8,10-11H2,1-3H3,(H,21,25)/t12?,14-,18-/m1/s1
• InChIKey: XUKAVPATXGYVKJ-OLTOQGTGSA-N

Properties

• Density: 1.312g/cm³ (Cal.)
• Boiling point: 629.856°C at 760 mmHg (Cal.)
• Flash point: 334.725°C (Cal.)