Hydroxy mifepristone

Base Information

• Chemical Name: Hydroxy mifepristone
• CAS No.: 105012-15-5
• Molecular Formula: C29H35 N O3
• Molecular Weight: 445.59
• UNII: TY1DH55PN8
• Nikkaji Number: J386.663G
• Mol file: 105012-15-5.mol

Synonyms:RU 42698;RU-42698

Chemical Property of Hydroxy mifepristone

Chemical Property:

• Vapor Pressure: 3.2E-19mmHg at 25°C
• Melting Point: 113-118°C
• Boiling Point: 676.4°Cat760mmHg
• Flash Point: 362.9°C
• PSA: 60.77000
• Density: 1.24g/cm³
• LogP: 4.37890
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 445.26169398
• Heavy Atom Count: 33
• Complexity: 940

Purity/Quality:

99% ^*data from raw suppliers

22-HydroxyMifepristone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

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#CCO)O)C5=CC=C(C=C5)N(C)C
• Uses: A metabolite of Mifepristone