(8beta)-8-((Methylsulfonyl)Methyl)-6-Propyl-Ergoline
[CAS# 72822-03-8]

Identification

• Name: (8beta)-8-((Methylsulfonyl)Methyl)-6-Propyl-Ergoline
• Synonyms: Pergolide Sulfone
• Molecular Formula: C₁₉H₂₆N₂O₂S
• Molecular Weight: 346.49
• CAS Registry Number: 72822-03-8
• SMILES: [C@@H]34CC1=C[NH]C2=CC=CC(=C12)C3C[C@H](CN4CCC)C[S](=O)(=O)C
• InChI: 1S/C19H26N2O2S/c1-3-7-21-11-13(12-24(2,22)23)8-16-15-5-4-6-17-19(15)14(10-20-17)9-18(16)21/h4-6,10,13,16,18,20H,3,7-9,11-12H2,1-2H3/t13-,16?,18-/m1/s1
• InChIKey: BRFHHAXHZFOBNY-DQYPLQBXSA-N

Properties

• Density: 1.209g/cm³ (Cal.)
• Boiling point: 583.34°C at 760 mmHg (Cal.)
• Flash point: 306.593°C (Cal.)