(5R,8S,10R)-2-Chloro-6-Methyl-8-(1H-Imidazol-1-Ylmethyl)Ergoline
[CAS# 162070-34-0]

Identification

• Name: (5R,8S,10R)-2-Chloro-6-Methyl-8-(1H-Imidazol-1-Ylmethyl)Ergoline
• Synonyms: 2-Chloro-6-Methyl-8-Alpha-(1H-Imidazol-1-Ylmethyl)Ergoline; Ergoline, 2-Chloro-8-(1H-Imidazol-1-Ylmethyl)-6-Methyl-, (8-Alpha)-
• Molecular Formula: C₁₉H₂₁ClN₄
• Molecular Weight: 340.85
• CAS Registry Number: 162070-34-0
• SMILES: [C@@H]34CC1=C([NH]C2=CC=CC(=C12)C3C[C@@H](CN4C)C[N]5C=NC=C5)Cl
• InChI: 1S/C19H21ClN4/c1-23-9-12(10-24-6-5-21-11-24)7-14-13-3-2-4-16-18(13)15(8-17(14)23)19(20)22-16/h2-6,11-12,14,17,22H,7-10H2,1H3/t12-,14?,17+/m0/s1
• InChIKey: ZDNMSQTZSMLUBZ-WAPNNBGYSA-N

Properties

• Density: 1.449g/cm³ (Cal.)
• Boiling point: 586.069°C at 760 mmHg (Cal.)
• Flash point: 308.244°C (Cal.)