Flumedroxone

Base Information

• Chemical Name: Flumedroxone
• CAS No.: 15687-21-5
• Molecular Formula: C22H29 F3 O3
• Molecular Weight: 398.46
• UNII: K80185F39X
• ChEMBL ID: CHEMBL2104932
• DSSTox Substance ID: DTXSID40905080
• Metabolomics Workbench ID: 154402
• NCI Thesaurus Code: C65715
• Nikkaji Number: J16.173J
• Wikidata: Q8564075
• Wikipedia: Flumedroxone
• Mol file: 15687-21-5.mol

Synonyms:17 alpha-hydroxy-6 alpha-(trifluoromethyl)pregn-4-ene-3,20-dione acetate;6 alpha-trifluoromethyl-17 alpha-acetoxyprogesterone;flumedroxone;flumedroxone acetate

Chemical Property of Flumedroxone

Chemical Property:

• Vapor Pressure: 2.62E-11mmHg at 25°C
• Boiling Point: 481.9°Cat760mmHg
• Flash Point: 245.2°C
• PSA: 54.37000
• Density: 1.25g/cm³
• LogP: 4.62680
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 398.20687927
• Heavy Atom Count: 28
• Complexity: 757

Purity/Quality:

97% ^*data from raw suppliers

Flumedroxone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1(CCC2C1(CCC3C2CC(C4=CC(=O)CCC34C)C(F)(F)F)C)O
• Isomeric SMILES: CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H](C4=CC(=O)CC[C@]34C)C(F)(F)F)C)O
• Uses: Flumedroxone is used in migraine treatment and in antimigraine preparation.

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