17-Bromofestuclavine
[CAS# 52517-34-7]

Identification

• Name: 17-Bromofestuclavine
• Synonyms: 17-Bromofestuclavine; Ccris 6645; Ergoline, 8-(Bromomethyl)-6-Methyl-, (8-Beta)-
• Molecular Formula: C₁₆H₁₉BrN₂
• Molecular Weight: 319.24
• CAS Registry Number: 52517-34-7
• SMILES: [C@@H]34CC1=C[NH]C2=CC=CC(=C12)C3C[C@H](CN4C)CBr
• InChI: 1S/C16H19BrN2/c1-19-9-10(7-17)5-13-12-3-2-4-14-16(12)11(8-18-14)6-15(13)19/h2-4,8,10,13,15,18H,5-7,9H2,1H3/t10-,13?,15+/m0/s1
• InChIKey: NRNPZUVPUBSFMI-NXGPAIQASA-N

Properties

• Density: 1.399g/cm³ (Cal.)
• Boiling point: 469.242°C at 760 mmHg (Cal.)
• Flash point: 237.59°C (Cal.)