Brazergoline
[CAS# 60019-20-7]

Identification

• Name: Brazergoline
• Synonyms: 2-Bromo-6-Methylergoline-8Beta-Methanol Hexahydro-1H-Azepine-1-Carboxylate (Ester); Brazergolin; Brazergoline
• Molecular Formula: C₂₃H₃₀BrN₃O₂
• Molecular Weight: 460.41
• CAS Registry Number: 60019-20-7
• SMILES: [C@H]14N(C[C@@H](CC1C3=C2C(=C(Br)[NH]C2=CC=C3)C4)COC(=O)N5CCCCCC5)C
• InChI: 1S/C23H30BrN3O2/c1-26-13-15(14-29-23(28)27-9-4-2-3-5-10-27)11-17-16-7-6-8-19-21(16)18(12-20(17)26)22(24)25-19/h6-8,15,17,20,25H,2-5,9-14H2,1H3/t15-,17?,20-/m1/s1
• InChIKey: MMPCMJGFURZYOY-QMBUQHDCSA-N

Properties

• Density: 1.358g/cm³ (Cal.)
• Boiling point: 600.227°C at 760 mmHg (Cal.)
• Flash point: 316.806°C (Cal.)