1-[[(8beta)-6-Methylergolin-8-Yl]Methyl]-1H-Imidazole-2-Carboxylic Acid Ethyl Ester
[CAS# 115219-11-9]

Identification

• Name: 1-[[(8beta)-6-Methylergolin-8-Yl]Methyl]-1H-Imidazole-2-Carboxylic Acid Ethyl Ester
• Synonyms: Ethyl 1-(((8-Beta)-6-Methylergolin-8-Yl)Methyl)-1H-Imidazole-2-Carboxylate
• Molecular Formula: C₂₂H₂₆N₄O₂
• Molecular Weight: 378.47
• CAS Registry Number: 115219-11-9
• SMILES: [C@@H]35CC1=C[NH]C2=CC=CC(=C12)C3C[C@@H](C[N]4C(=NC=C4)C(=O)OCC)CN5C
• InChI: 1S/C22H26N4O2/c1-3-28-22(27)21-23-7-8-26(21)13-14-9-17-16-5-4-6-18-20(16)15(11-24-18)10-19(17)25(2)12-14/h4-8,11,14,17,19,24H,3,9-10,12-13H2,1-2H3/t14-,17?,19-/m1/s1
• InChIKey: UHBBQWRACBQOJF-LJMFKLJISA-N

Properties

• Density: 1.366g/cm³ (Cal.)
• Boiling point: 590.263°C at 760 mmHg (Cal.)
• Flash point: 310.78°C (Cal.)