2-Bromo-6-Methyl-8beta-[(2-Phenyl-1H-Imidazol-1-Yl)Methyl]Ergoline
[CAS# 115219-10-8]

Identification

• Name: 2-Bromo-6-Methyl-8beta-[(2-Phenyl-1H-Imidazol-1-Yl)Methyl]Ergoline
• Synonyms: Ergoline, 2-Bromo-6-Methyl-8-((2-Phenyl-1H-Imidazol-1-Yl)Methyl)-, (8-Beta)-
• Molecular Formula: C₂₅H₂₅BrN₄
• Molecular Weight: 461.40
• CAS Registry Number: 115219-10-8
• SMILES: [C@@H]15[C@H](N(CC(C1)C[N]2C(=NC=C2)C3=CC=CC=C3)C)CC4=C(Br)[NH]C6=C4C5=CC=C6
• InChI: 1S/C25H25BrN4/c1-29-14-16(15-30-11-10-27-25(30)17-6-3-2-4-7-17)12-19-18-8-5-9-21-23(18)20(13-22(19)29)24(26)28-21/h2-11,16,19,22,28H,12-15H2,1H3/t16?,19-,22-/m1/s1
• InChIKey: VKABNRMTNPWHBD-RYLMWKJUSA-N

Properties

• Density: 1.506g/cm³ (Cal.)
• Boiling point: 658.188°C at 760 mmHg (Cal.)
• Flash point: 351.859°C (Cal.)