Cefpimizol

C₂₈H₂₆N₆O₁₀S₂ — CID 11765031

About Cefpimizol

Cefpimizol (PubChem CID 11765031) has the molecular formula C₂₈H₂₆N₆O₁₀S₂ and a molecular weight of 670.68 g/mol. Its IUPAC name is (6R,7R)-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenylacetyl]amino]-8-oxo-3-[[4-(2-sulfoethyl)pyridin-1-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

Molecular Properties

• Compound Name: Cefpimizol
• PubChem CID: 11765031
• Molecular Formula: C₂₈H₂₆N₆O₁₀S₂
• Molecular Weight: 670.68 g/mol
• Exact Mass: 670.12
• IUPAC Name: (6R,7R)-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenylacetyl]amino]-8-oxo-3-[[4-(2-sulfoethyl)pyridin-1-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• SMILES: O=C([O-])C1=C(C[n+]2ccc(CCS(=O)(=O)O)cc2)CS[C@@H]2[C@H](NC(=O)[C@H](NC(=O)c3nc[nH]c3C(=O)O)c3ccccc3)C(=O)N12
• InChI: InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1
• InChIKey: LNZMRLHZGOBKAN-KAWPREARSA-N
• XLogP: -1.60
• TPSA: 242.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	670.68
LogP ≤ 5	-1.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cefpimizol?

The IUPAC name of Cefpimizol (CID 11765031) is (6R,7R)-7-[[(2R)-2-[(5-carboxy-1H-imidazole-4-carbonyl)amino]-2-phenylacetyl]amino]-8-oxo-3-[[4-(2-sulfoethyl)pyridin-1-ium-1-yl]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

What is the SMILES notation for Cefpimizol?

The canonical SMILES for Cefpimizol is O=C([O-])C1=C(C[n+]2ccc(CCS(=O)(=O)O)cc2)CS[C@@H]2[C@H](NC(=O)[C@H](NC(=O)c3nc[nH]c3C(=O)O)c3ccccc3)C(=O)N12.

What is the InChIKey of Cefpimizol?

The InChIKey is LNZMRLHZGOBKAN-KAWPREARSA-N. The full InChI is InChI=1S/C28H26N6O10S2/c35-23(18(16-4-2-1-3-5-16)31-24(36)19-20(27(38)39)30-14-29-19)32-21-25(37)34-22(28(40)41)17(13-45-26(21)34)12-33-9-6-15(7-10-33)8-11-46(42,43)44/h1-7,9-10,14,18,21,26H,8,11-13H2,(H5-,29,30,31,32,35,36,38,39,40,41,42,43,44)/t18-,21-,26-/m1/s1.

What are the key properties of Cefpimizol?

Cefpimizol has a molecular weight of 670.68 g/mol, XLogP of -1.60, 12 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for Cefpimizol is sourced from PubChem (CID 11765031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11765031 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3075 — approved-drug record (CC BY-SA 4.0)

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