1-[(9,10-Didehydro-1,6-Dimethylergolin-8beta-Yl)Carbonyl]Pyrrolidine
[CAS# 7221-79-6]

Identification

• Name: 1-[(9,10-Didehydro-1,6-Dimethylergolin-8beta-Yl)Carbonyl]Pyrrolidine
• Synonyms: 4-25-00-00970 (Beilstein Handbook Reference); Brn 0048565; D-1-Methyl Lysergic Acid Pyrrolidide
• Molecular Formula: C₂₁H₂₅N₃O
• Molecular Weight: 335.45
• CAS Registry Number: 7221-79-6
• SMILES: [C@@H]34CC1=C[N](C2=CC=CC(=C12)C3=C[C@H](CN4C)C(N5CCCC5)=O)C
• InChI: 1S/C21H25N3O/c1-22-12-14-11-19-17(16-6-5-7-18(22)20(14)16)10-15(13-23(19)2)21(25)24-8-3-4-9-24/h5-7,10,12,15,19H,3-4,8-9,11,13H2,1-2H3/t15-,19-/m1/s1
• InChIKey: PWISINPCTJKXCA-DNVCBOLYSA-N

Properties

• Density: 1.311g/cm³ (Cal.)
• Boiling point: 574.404°C at 760 mmHg (Cal.)
• Flash point: 301.189°C (Cal.)