6-Methyl-8 alpha-N-methylsulfamoylaminoergoline

Base Information

• Chemical Name: 6-Methyl-8 alpha-N-methylsulfamoylaminoergoline
• CAS No.: 88374-72-5
• Molecular Formula: C16H22 N4 O2 S
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID601008104
• Mol file: 88374-72-5.mol

Synonyms:1,20-N,N-bidemethylated mesulergine;6-methyl-8 alpha-N-methylsulfamoylaminoergoline;MMSAE

Chemical Property of 6-Methyl-8 alpha-N-methylsulfamoylaminoergoline

Chemical Property:

• PSA: 85.61000
• LogP: 2.73460
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 334.14634713
• Heavy Atom Count: 23
• Complexity: 549

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CNS(=O)(=O)NC1CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C
• Isomeric SMILES: CNS(=O)(=O)N[C@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C