Desoximetasone

C₂₂H₂₉FO₄ — CID 5311067

About Desoximetasone

Desoximetasone (PubChem CID 5311067) has the molecular formula C₂₂H₂₉FO₄ and a molecular weight of 376.47 g/mol. Its IUPAC name is (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one.

Molecular Properties

• Compound Name: Desoximetasone
• PubChem CID: 5311067
• Molecular Formula: C₂₂H₂₉FO₄
• Molecular Weight: 376.47 g/mol
• Exact Mass: 376.20
• IUPAC Name: (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one
• SMILES: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@H]1C(=O)CO
• InChI: InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1
• InChIKey: VWVSBHGCDBMOOT-IIEHVVJPSA-N
• XLogP: 2.78
• TPSA: 74.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.47
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Desoximetasone?

The IUPAC name of Desoximetasone (CID 5311067) is (8S,9R,10S,11S,13S,14S,16R,17S)-9-fluoro-11-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-3-one.

What is the SMILES notation for Desoximetasone?

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

What is the InChIKey of Desoximetasone?

The InChIKey is VWVSBHGCDBMOOT-IIEHVVJPSA-N. The full InChI is InChI=1S/C22H29FO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-21(13,3)22(15,23)18(27)10-20(16,2)19(12)17(26)11-24/h6-7,9,12,15-16,18-19,24,27H,4-5,8,10-11H2,1-3H3/t12-,15+,16+,18+,19-,20+,21+,22+/m1/s1.

What are the key properties of Desoximetasone?

Desoximetasone has a molecular weight of 376.47 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Desoximetasone is sourced from PubChem (CID 5311067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5311067 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 819 — approved-drug record (CC BY-SA 4.0)

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