9,10-Didehydro-N,N-Diethyl-12-Hydroxy-6-Methylergoline-8beta-Carboxamide
[CAS# 60573-89-9]

Identification

• Name: 9,10-Didehydro-N,N-Diethyl-12-Hydroxy-6-Methylergoline-8beta-Carboxamide
• Synonyms: 9,10-Didehydro-N,N-Diethyl-6-Methyl-12-Hydroxyergoline-8-Beta-Carboxamide; Ergoline-8-Beta-Carboxamide, 9,10-Didehydro-N,N-Diethyl-12-Hydroxy-6-Methyl-
• Molecular Formula: C₂₀H₂₅N₃O₂
• Molecular Weight: 339.44
• CAS Registry Number: 60573-89-9
• SMILES: [C@H]4(C(N(CC)CC)=O)CN([C@@H]3CC1=C[NH]C2=CC=C(C(=C12)C3=C4)O)C
• InChI: 1S/C20H25N3O2/c1-4-23(5-2)20(25)13-8-14-16(22(3)11-13)9-12-10-21-15-6-7-17(24)19(14)18(12)15/h6-8,10,13,16,21,24H,4-5,9,11H2,1-3H3/t13-,16-/m1/s1
• InChIKey: SJBIVHSZSSHVGK-CZUORRHYSA-N

Properties

• Density: 1.291g/cm³ (Cal.)
• Boiling point: 576.058°C at 760 mmHg (Cal.)
• Flash point: 302.189°C (Cal.)