Ergocorninine methanesulfonate

Base Information

• Chemical Name: Ergocorninine methanesulfonate
• CAS No.: 74137-65-8
• Molecular Formula: C31H39OS•CH4O3S
• Molecular Weight: 698.01
• Mol file: 74137-65-8.mol

Synonyms:Ergocorninine methanesulfonate;74137-65-8;Ergotaman-3',6',18-trione, 2',5'-bis(1-methylethyl)-12'-hydroxy-, (5'-alpha,8-alpha)-, monomethanesulfonate (salt);C31H39OS.CH4O3S;JSSWJSBXBKEBMS-YXCCQSEOSA-N;C31-H39-OS.C-H4-O3-S;LS-64546

Chemical Property of Ergocorninine methanesulfonate

Chemical Property:

• PSA: 184.45000
• LogP: 3.27900
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 657.28323452
• Heavy Atom Count: 46
• Complexity: 1270

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CS(=O)(=O)O
• Isomeric SMILES: CC(C)[C@@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O.CS(=O)(=O)O