Sergolexole maleate

Base Information

• Chemical Name: Sergolexole maleate
• CAS No.: 108674-87-9
• Molecular Formula: C30H40N2O7
• Molecular Weight: 540.6478
• UNII: XD5AHA648Y
• Wikidata: Q27293785
• NCI Thesaurus Code: C152344
• ChEMBL ID: CHEMBL3989717
• Mol file: 108674-87-9.mol

Synonyms:6-methyl-1-(1-methylethyl)ergoline-8-carboxylic acid, 4-methoxycyclohexyl ester;LY 281067;LY281067;sergolexole

Chemical Property of Sergolexole maleate

Chemical Property:

• Vapor Pressure: 2E-12mmHg at 25°C
• Boiling Point: 556.6°Cat760mmHg
• Flash Point: 290.4°C
• PSA: 118.30000
• Density: g/cm³
• LogP: 4.33270
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 540.28355162
• Heavy Atom Count: 39
• Complexity: 766

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)N1C=C2CC3C(CC(CN3C)C(=O)OC4CCC(CC4)OC)C5=C2C1=CC=C5.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CC(C)N1C=C2C[C@@H]3[C@H](C[C@H](CN3C)C(=O)OC4CCC(CC4)OC)C5=C2C1=CC=C5.C(=C\C(=O)O)\C(=O)O
• Uses: Antimigraine.