(5R,8S,10R)-2-Bromo-6-Methyl-8-((2-Phenyl-1H-Imidazol-1-Yl)Methyl)Ergoline
[CAS# 162070-38-4]

Identification

• Name: (5R,8S,10R)-2-Bromo-6-Methyl-8-((2-Phenyl-1H-Imidazol-1-Yl)Methyl)Ergoline
• Synonyms: 2-Bromo-6-Methyl-8-Alpha-((2-Phenyl-1H-Imidazol-1-Yl)Methyl)Ergoline; Ergoline, 2-Bromo-6-Methyl-8-((2-Phenyl-1H-Imidazol-1-Yl)Methyl)-, (8-Alpha)-
• Molecular Formula: C₂₅H₂₅BrN₄
• Molecular Weight: 461.40
• CAS Registry Number: 162070-38-4
• SMILES: [C@@H]34CC1=C([NH]C2=CC=CC(=C12)C3C[C@@H](CN4C)C[N]5C(=NC=C5)C6=CC=CC=C6)Br
• 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+/m0/s1
• InChIKey: VKABNRMTNPWHBD-STBDEFDDSA-N

Properties

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