Fluprednidene

C₂₂H₂₇FO₅ — CID 11794741

About Fluprednidene

Fluprednidene (PubChem CID 11794741) has the molecular formula C₂₂H₂₇FO₅ and a molecular weight of 390.45 g/mol. Its IUPAC name is (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-16-methylidene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-one.

Molecular Properties

• Compound Name: Fluprednidene
• PubChem CID: 11794741
• Molecular Formula: C₂₂H₂₇FO₅
• Molecular Weight: 390.45 g/mol
• Exact Mass: 390.18
• IUPAC Name: (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-16-methylidene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-one
• SMILES: C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
• InChI: InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19-,20-,21-,22-/m0/s1
• InChIKey: YVHXHNGGPURVOS-SBTDHBFYSA-N
• XLogP: 1.82
• TPSA: 94.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.45
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Fluprednidene?

The IUPAC name of Fluprednidene (CID 11794741) is (8S,9R,10S,11S,13S,14S,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-16-methylidene-7,8,11,12,14,15-hexahydro-6H-cyclopenta[a]phenanthren-3-one.

What is the SMILES notation for Fluprednidene?

The canonical SMILES for Fluprednidene is C=C1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO.

What is the InChIKey of Fluprednidene?

The InChIKey is YVHXHNGGPURVOS-SBTDHBFYSA-N. The full InChI is InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17-,19-,20-,21-,22-/m0/s1.

What are the key properties of Fluprednidene?

Fluprednidene has a molecular weight of 390.45 g/mol, XLogP of 1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Fluprednidene is sourced from PubChem (CID 11794741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11794741 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 4553 — approved-drug record (CC BY-SA 4.0)

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