Formebolone

C₂₁H₂₈O₄ — CID 17150

About Formebolone

Formebolone (PubChem CID 17150) has the molecular formula C₂₁H₂₈O₄ and a molecular weight of 344.45 g/mol. Its IUPAC name is (8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2-carbaldehyde.

Molecular Properties

• Compound Name: Formebolone
• PubChem CID: 17150
• Molecular Formula: C₂₁H₂₈O₄
• Molecular Weight: 344.45 g/mol
• Exact Mass: 344.20
• IUPAC Name: (8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2-carbaldehyde
• SMILES: C[C@]12C=C(C=O)C(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(C)O
• InChI: InChI=1S/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1
• InChIKey: AMVODTGMYSRMNP-GNIMZFFESA-N
• XLogP: 2.59
• TPSA: 74.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.45
LogP ≤ 5	2.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Formebolone?

The IUPAC name of Formebolone (CID 17150) is (8S,9S,10R,11R,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2-carbaldehyde.

What is the SMILES notation for Formebolone?

The canonical SMILES for Formebolone is C[C@]12C=C(C=O)C(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@]2(C)O.

What is the InChIKey of Formebolone?

The InChIKey is AMVODTGMYSRMNP-GNIMZFFESA-N. The full InChI is InChI=1S/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3/t14-,15-,17+,18+,19-,20-,21-/m0/s1.

What are the key properties of Formebolone?

Formebolone has a molecular weight of 344.45 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Formebolone is sourced from PubChem (CID 17150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17150 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 1237 — approved-drug record (CC BY-SA 4.0)

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