Suxibuzone

C₂₄H₂₆N₂O₆ — CID 5362

About Suxibuzone

Suxibuzone (PubChem CID 5362) has the molecular formula C₂₄H₂₆N₂O₆ and a molecular weight of 438.48 g/mol. Its IUPAC name is 4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: Suxibuzone
• PubChem CID: 5362
• Molecular Formula: C₂₄H₂₆N₂O₆
• Molecular Weight: 438.48 g/mol
• Exact Mass: 438.18
• IUPAC Name: 4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid
• SMILES: CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
• InChI: InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28)
• InChIKey: ONWXNHPOAGOMTG-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 104.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.48
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Suxibuzone?

The IUPAC name of Suxibuzone (CID 5362) is 4-[(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methoxy]-4-oxobutanoic acid.

What is the SMILES notation for Suxibuzone?

The canonical SMILES for Suxibuzone is CCCCC1(COC(=O)CCC(=O)O)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O.

What is the InChIKey of Suxibuzone?

The InChIKey is ONWXNHPOAGOMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-2-3-16-24(17-32-21(29)15-14-20(27)28)22(30)25(18-10-6-4-7-11-18)26(23(24)31)19-12-8-5-9-13-19/h4-13H,2-3,14-17H2,1H3,(H,27,28).

What are the key properties of Suxibuzone?

Suxibuzone has a molecular weight of 438.48 g/mol, XLogP of 3.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Suxibuzone is sourced from PubChem (CID 5362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 5362 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 2547 — approved-drug record (CC BY-SA 4.0)

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