N-Cyclohexyl-1-isopropyl-6-methylergoline-8beta-carboxamide
[CAS# 121588-75-8]

Identification

• Name: N-Cyclohexyl-1-isopropyl-6-methylergoline-8beta-carboxamide
• Synonyms: Pdsp1_000759; Amesergide; Amesergide [Usan:Inn]
• Molecular Formula: C₂₅H₃₅N₃O
• Molecular Weight: 393.57
• CAS Registry Number: 121588-75-8
• SMILES: [C@H]4(CC3C2=C1C(=C[N](C1=CC=C2)C(C)C)CC3N(C4)C)C(NC5CCCCC5)=O
• InChI: 1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)/t18-,21?,23?/m1/s1
• InChIKey: KEMOOQHMCGCZKH-FBHNJWQJSA-N

Properties

• Density: 1.257g/cm³ (Cal.)
• Boiling point: 611.57°C at 760 mmHg (Cal.)
• Flash point: 323.666°C (Cal.)