N-Methyl-N'-[(8alpha,10xi)-6-methylergolin-8-yl]sulfuric diamide
[CAS# 88374-72-5]

Identification

• Name: N-Methyl-N'-[(8alpha,10xi)-6-methylergolin-8-yl]sulfuric diamide
• Synonyms: 1,20-N,N-Bidemethylated mesulergine; 6-Methyl-8 α-N-methylsulfamoylaminoergoline; MMSAE
• Molecular Formula: C₁₆H₂₂N₄O₂S
• Molecular Weight: 334.44
• CAS Registry Number: 88374-72-5
• SMILES: O=S(=O)(NC)N[C@H]2CC3c4cccc1c4c(cn1)C[C@H]3N(C2)C
• InChI: 1S/C16H22N4O2S/c1-17-23(21,22)19-11-7-13-12-4-3-5-14-16(12)10(8-18-14)6-15(13)20(2)9-11/h3-5,8,11,13,15,17-19H,6-7,9H2,1-2H3/t11-,13?,15+/m0/s1
• InChIKey: LIZLCTQWXZCORY-LKVSRFHLSA-N

Properties

• Density: 1.395g/cm³ (Cal.)
• Boiling point: 548.77°C at 760 mmHg (Cal.)
• Flash point: 285.686°C (Cal.)