Cefpodoxime proxetil

C₂₁H₂₇N₅O₉S₂ — CID 6526396

About Cefpodoxime proxetil

Cefpodoxime proxetil (PubChem CID 6526396) has the molecular formula C₂₁H₂₇N₅O₉S₂ and a molecular weight of 557.61 g/mol. Its IUPAC name is 1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

Molecular Properties

• Compound Name: Cefpodoxime proxetil
• PubChem CID: 6526396
• Molecular Formula: C₂₁H₂₇N₅O₉S₂
• Molecular Weight: 557.61 g/mol
• Exact Mass: 557.13
• IUPAC Name: 1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• SMILES: COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1
• InChI: InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1
• InChIKey: LTINZAODLRIQIX-FBXRGJNPSA-N
• XLogP: 0.83
• TPSA: 180.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.61
LogP ≤ 5	0.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 Cefpodoxime proxetil?

The IUPAC name of Cefpodoxime proxetil (CID 6526396) is 1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate.

What is the SMILES notation for Cefpodoxime proxetil?

The canonical SMILES for Cefpodoxime proxetil is COCC1=C(C(=O)OC(C)OC(=O)OC(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OC)c3csc(N)n3)[C@H]2SC1.

What is the InChIKey of Cefpodoxime proxetil?

The InChIKey is LTINZAODLRIQIX-FBXRGJNPSA-N. The full InChI is InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1.

What are the key properties of Cefpodoxime proxetil?

Cefpodoxime proxetil has a molecular weight of 557.61 g/mol, XLogP of 0.83, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for Cefpodoxime proxetil is sourced from PubChem (CID 6526396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 6526396 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 555 — approved-drug record (CC BY-SA 4.0)

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