9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate

Base Information

• Chemical Name: 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate
• CAS No.: 68791-47-9
• Molecular Formula: C25H33FO6
• Molecular Weight: 448.5243
• European Community (EC) Number: 272-293-5
• DSSTox Substance ID: DTXSID80218904
• Nikkaji Number: J308.306C
• Wikidata: Q83095826
• Mol file: 68791-47-9.mol

Synonyms:68791-47-9;9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate;EINECS 272-293-5;SCHEMBL19726402;DTXSID80218904;9-Fluoro-11beta,21-dihydroxy-17-(1-oxobutoxy)pregna-1,4-diene-3,20-dione

Chemical Property of 9-Fluoro-11beta,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate

Chemical Property:

• Boiling Point: 585.3°Cat760mmHg
• Flash Point: 307.8°C
• PSA: 100.90000
• Density: 1.28g/cm³
• LogP: 3.00070
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 448.22611693
• Heavy Atom Count: 32
• Complexity: 910

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C(=O)CO
• Isomeric SMILES: CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C(=O)CO

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