Lergotrile mesylate

Base Information

• Chemical Name: Lergotrile mesylate
• CAS No.: 51473-23-5
• Molecular Formula: C17H20ClN3•CH4O3S
• Molecular Weight: 397.96
• European Community (EC) Number: 257-225-4
• UNII: 1945N48N9E
• ChEMBL ID: CHEMBL2107181
• NCI Thesaurus Code: C81080
• Wikidata: Q27252066
• Mol file: 51473-23-5.mol

Synonyms:lergotrile mesylate;Lilly 83636;Lilly-83636

Chemical Property of Lergotrile mesylate

Chemical Property:

• Boiling Point: 528°Cat760mmHg
• Flash Point: 273.1°C
• PSA: 105.57000
• Density: g/cm³
• LogP: 4.21768
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 395.1070404
• Heavy Atom Count: 26
• Complexity: 551

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CC(CC2C1CC3=C(NC4=CC=CC2=C34)Cl)CC#N.CS(=O)(=O)O
• Isomeric SMILES: CN1C[C@@H](C[C@H]2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CC#N.CS(=O)(=O)O