(8beta(trans))-N-(4-Hydroxycyclohexyl)-6-Methyl-1-(1-Methylethyl)-Ergoline-8-Carboxamide
[CAS# 121566-75-4]

Identification

• Name: (8beta(trans))-N-(4-Hydroxycyclohexyl)-6-Methyl-1-(1-Methylethyl)-Ergoline-8-Carboxamide
• Synonyms: 4-Hydroxyamesergide
• Molecular Formula: C₂₅H₃₅N₃O₂
• Molecular Weight: 409.57
• CAS Registry Number: 121566-75-4
• SMILES: [C@@H]14[C@H](N(C[C@@H](C1)C(=O)NC2CCC(O)CC2)C)CC3=C[N](C5=C3C4=CC=C5)C(C)C
• InChI: 1S/C25H35N3O2/c1-15(2)28-14-16-12-23-21(20-5-4-6-22(28)24(16)20)11-17(13-27(23)3)25(30)26-18-7-9-19(29)10-8-18/h4-6,14-15,17-19,21,23,29H,7-13H2,1-3H3,(H,26,30)/t17-,18?,19?,21-,23-/m1/s1
• InChIKey: CWFUIPWFPMISLQ-MRMDNLSOSA-N

Properties

• Density: 1.319g/cm³ (Cal.)
• Boiling point: 650.722°C at 760 mmHg (Cal.)
• Flash point: 347.344°C (Cal.)