9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione

Base Information

• Chemical Name: 9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione
• CAS No.: 66170-12-5
• Molecular Formula: C21H29 F O4
• Molecular Weight: 364.451
• NSC Number: 44447
• DSSTox Substance ID: DTXSID901181535
• Nikkaji Number: J2.794.272E
• Wikidata: Q27149025
• ChEMBL ID: CHEMBL3250364
• Mol file: 66170-12-5.mol

Synonyms:CHEBI:79881;9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione;66170-12-5;CHEMBL3250364;DTXSID901181535;Progesterone,16.alpha.-dihydroxy-;NSC44447;NSC-44447;Q27149025;Pregn-4-ene-3, 9-fluoro-11,16-dihydroxy-, (11.beta.,16.alpha.)-;Pregn-4-ene-3,20-dione, 9-fluoro-11,16-dihydroxy-, (11beta,16alpha)-

Chemical Property of 9-Fluoro-11beta,16alpha-dihydroxypregn-4-ene-3,20-dione

Chemical Property:

• Vapor Pressure: 2.6E-13mmHg at 25°C
• Boiling Point: 527.1°C at 760 mmHg
• Flash Point: 272.6°C
• Density: 1.25g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 364.20498756
• Heavy Atom Count: 26
• Complexity: 702

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1C(CC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)O
• Isomeric SMILES: CC(=O)[C@H]1[C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)O