4-(9,10-Didehydroergolin-8-yl)methylpiperazine-2,6-dione
[CAS# 131816-89-2]

Identification

• Name: 4-(9,10-Didehydroergolin-8-yl)methylpiperazine-2,6-dione
• Synonyms: Fce-26506; 2,6-Piperazinedione, 4-(((8Beta)-9,10-Didehydroergolin-8-Yl)Methyl)-; 4-(((8Beta)-9,10-Didehydroergolin-8-Yl)Methyl)-2,6-Piperazinedione
• Molecular Formula: C₁₉H₂₀N₄O₂
• Molecular Weight: 336.39
• CAS Registry Number: 131816-89-2
• SMILES: [C@@H]34CC1=C[NH]C2=CC=CC(=C12)C3=C[C@H](CN4)CN5CC(=O)NC(=O)C5
• InChI: 1S/C19H20N4O2/c24-17-9-23(10-18(25)22-17)8-11-4-14-13-2-1-3-15-19(13)12(7-21-15)5-16(14)20-6-11/h1-4,7,11,16,20-21H,5-6,8-10H2,(H,22,24,25)/t11-,16-/m1/s1
• InChIKey: SOSJSMNIBOSKML-BDJLRTHQSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 645.676°C at 760 mmHg (Cal.)
• Flash point: 344.293°C (Cal.)