Delergotrile
[CAS# 59091-65-5]

Identification

• Name: Delergotrile
• Synonyms: 6-Methylergoline-8Alpha-Acetonitrile; Cm 29712; Delergotrile
• Molecular Formula: C₁₇H₁₉N₃
• Molecular Weight: 265.36
• CAS Registry Number: 59091-65-5
• SMILES: [C@@H]34CC1=C[NH]C2=CC=CC(=C12)C3C[C@@H](CN4C)CC#N
• InChI: 1S/C17H19N3/c1-20-10-11(5-6-18)7-14-13-3-2-4-15-17(13)12(9-19-15)8-16(14)20/h2-4,9,11,14,16,19H,5,7-8,10H2,1H3/t11-,14?,16+/m0/s1
• InChIKey: LBMFWYCMCHRLBU-ZIHDAQAOSA-N