4-(((8beta)-9,10-Didehydro-6-Methylergolin-8-Yl)Methyl)-2,6-Piperazinedione
[CAS# 107052-56-2]

Identification

• Name: 4-(((8beta)-9,10-Didehydro-6-Methylergolin-8-Yl)Methyl)-2,6-Piperazinedione
• Synonyms: 4-((9,10-Didehydro-6-Methylergolin-8Beta-Yl)Methyl)-2,6-Piperazinedione; Fce 23884; Romergoline
• Molecular Formula: C₂₀H₂₂N₄O₂
• Molecular Weight: 350.42
• CAS Registry Number: 107052-56-2
• SMILES: [C@@H]25C(=C[C@@H](CN1CC(NC(C1)=O)=O)CN2C)C3=CC=CC4=C3C(=C[NH]4)C5
• InChI: 1S/C20H22N4O2/c1-23-8-12(9-24-10-18(25)22-19(26)11-24)5-15-14-3-2-4-16-20(14)13(7-21-16)6-17(15)23/h2-5,7,12,17,21H,6,8-11H2,1H3,(H,22,25,26)/t12-,17-/m1/s1
• InChIKey: RJCXNCSJGRUWRW-SJKOYZFVSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 629.704°C at 760 mmHg (Cal.)
• Flash point: 334.633°C (Cal.)