4-(((8-beta)-6-Propylergolin-8-Yl)Methoxy)-3-Buten-2-One
[CAS# 79675-58-4]

Identification

• Name: 4-(((8-beta)-6-Propylergolin-8-Yl)Methoxy)-3-Buten-2-One
• Synonyms: 4-(((8-Beta)-6-Propylergolin-8-Yl)Methoxy)-3-Buten-2-One; 6-Propyl-8-((3-Buten-2-One)-4-Oxymethyl)Ergoline
• Molecular Formula: C₂₂H₂₈N₂O₂
• Molecular Weight: 352.48
• CAS Registry Number: 79675-58-4
• SMILES: [C@@H]34CC1=C[NH]C2=CC=CC(=C12)C3C[C@@H](CO/C=C/C(C)=O)CN4CCC
• InChI: 1S/C22H28N2O2/c1-3-8-24-13-16(14-26-9-7-15(2)25)10-19-18-5-4-6-20-22(18)17(12-23-20)11-21(19)24/h4-7,9,12,16,19,21,23H,3,8,10-11,13-14H2,1-2H3/b9-7+/t16-,19?,21-/m1/s1
• InChIKey: FBXYUYQUYOPSHU-YXXAHHGESA-N

Properties

• Density: 1.129g/cm³ (Cal.)
• Boiling point: 550.625°C at 760 mmHg (Cal.)
• Flash point: 286.808°C (Cal.)