Ceftizoxime

C₁₃H₁₃N₅O₅S₂ — CID 6533629

About Ceftizoxime

Ceftizoxime (PubChem CID 6533629) has the molecular formula C₁₃H₁₃N₅O₅S₂ and a molecular weight of 383.41 g/mol. Its IUPAC name is (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

Molecular Properties

• Compound Name: Ceftizoxime
• PubChem CID: 6533629
• Molecular Formula: C₁₃H₁₃N₅O₅S₂
• Molecular Weight: 383.41 g/mol
• Exact Mass: 383.04
• IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
• SMILES: CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1
• InChI: InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1
• InChIKey: NNULBSISHYWZJU-LLKWHZGFSA-N
• XLogP: -0.56
• TPSA: 147.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.41
LogP ≤ 5	-0.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ceftizoxime?

The IUPAC name of Ceftizoxime (CID 6533629) is (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid.

What is the SMILES notation for Ceftizoxime?

The canonical SMILES for Ceftizoxime is CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(N)n1.

What is the InChIKey of Ceftizoxime?

The InChIKey is NNULBSISHYWZJU-LLKWHZGFSA-N. The full InChI is InChI=1S/C13H13N5O5S2/c1-23-17-7(5-4-25-13(14)15-5)9(19)16-8-10(20)18-6(12(21)22)2-3-24-11(8)18/h2,4,8,11H,3H2,1H3,(H2,14,15)(H,16,19)(H,21,22)/b17-7-/t8-,11-/m1/s1.

What are the key properties of Ceftizoxime?

Ceftizoxime has a molecular weight of 383.41 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Ceftizoxime is sourced from PubChem (CID 6533629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6533629 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 563 — approved-drug record (CC BY-SA 4.0)

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