Oxymetholone

C₂₁H₃₂O₃ — CID 5281034

About Oxymetholone

Oxymetholone (PubChem CID 5281034) has the molecular formula C₂₁H₃₂O₃ and a molecular weight of 332.48 g/mol. Its IUPAC name is (2Z,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.

Molecular Properties

• Compound Name: Oxymetholone
• PubChem CID: 5281034
• Molecular Formula: C₂₁H₃₂O₃
• Molecular Weight: 332.48 g/mol
• Exact Mass: 332.24
• IUPAC Name: (2Z,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
• SMILES: C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
• InChI: InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1
• InChIKey: ICMWWNHDUZJFDW-DHODBPELSA-N
• XLogP: 4.40
• TPSA: 57.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.48
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Oxymetholone?

The IUPAC name of Oxymetholone (CID 5281034) is (2Z,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13,17-trimethyl-1,4,5,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one.

What is the SMILES notation for Oxymetholone?

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

What is the InChIKey of Oxymetholone?

The InChIKey is ICMWWNHDUZJFDW-DHODBPELSA-N. The full InChI is InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1.

What are the key properties of Oxymetholone?

Oxymetholone has a molecular weight of 332.48 g/mol, XLogP of 4.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Oxymetholone is sourced from PubChem (CID 5281034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5281034 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2033 — approved-drug record (CC BY-SA 4.0)

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