Lilopristone

Base Information

• Chemical Name: Lilopristone
• CAS No.: 97747-88-1
• Molecular Formula: C29H37NO3
• Molecular Weight: 447.618
• UNII: 3GL26H7N6T
• ChEMBL ID: CHEMBL1908329
• DSSTox Substance ID: DTXSID801034575
• Metabolomics Workbench ID: 155668
• NCI Thesaurus Code: C80686
• Nikkaji Number: J248.009C
• Wikidata: Q27257184
• Wikipedia: Lilopristone
• Mol file: 97747-88-1.mol

Synonyms:98.734;lilopristone;ZK 98.734;ZK 98734;ZK-98734;ZK98734

Chemical Property of Lilopristone

Chemical Property:

• Vapor Pressure: 3.18E-18mmHg at 25°C
• Refractive Index: 1.628
• Boiling Point: 658.3 °C at 760 mmHg
• Flash Point: 351.9 °C
• PSA: 60.77000
• Density: 1.21 g/cm³
• LogP: 4.93170
• Storage Temp.: 2-8°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 447.27734404
• Heavy Atom Count: 33
• Complexity: 877

Purity/Quality:

99% ^*data from raw suppliers

Lilopristone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C=CCO)O)C5=CC=C(C=C5)N(C)C
• Isomeric SMILES: C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(/C=C\CO)O)C5=CC=C(C=C5)N(C)C
• Uses: Lilopristone is a progesterone antagonist.