9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione mono(hydrogen sulphate)

Base Information

• Chemical Name: 9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione mono(hydrogen sulphate)
• CAS No.: 36493-04-6
• Molecular Formula: C22H29FO8S
• Molecular Weight: 472.5242632
• European Community (EC) Number: 253-061-2
• DSSTox Substance ID: DTXSID70957799
• Mol file: 36493-04-6.mol

Synonyms:36493-04-6;EINECS 253-061-2;9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione mono(hydrogen sulphate);DTXSID70957799;9-Fluoro-11,17-dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl hydrogen sulfate;9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione mono(hydrogen sulfate)

Chemical Property of 9-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregna-1,4-diene-3,20-dione mono(hydrogen sulphate)

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 0.00000
• Density: 1.47g/cm³
• LogP: 0.00000
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 472.15671721
• Heavy Atom Count: 32
• Complexity: 1030

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COS(=O)(=O)O)O)C)O)F)C
• Isomeric SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3([C@H](C[C@@]2([C@]1(C(=O)COS(=O)(=O)O)O)C)O)F)C

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