cefpodoxime

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cefpodoxime

GtoPdb Ligand ID: 10780

Synonyms: RU-51746 | Vantin®

cefpodoxime is an approved drug (FDA (1992))

Comment: Cefpodoxime (proxetil) is a broad-spectrum, oral, third generation cephalosporin antibacterial that is active against most Gram-positive and Gram-negative bacteria [1].

2D Structure

Physico-chemical Properties

Hydrogen bond acceptors	9
Hydrogen bond donors	3
Rotatable bonds	8
Topological polar surface area	209.98
Molecular weight	427.06
XLogP	-2.93
No. Lipinski's rules broken	0

SMILES / InChI / InChIKey

Canonical SMILES	CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC
Isomeric SMILES	CO/N=C(/c1csc(n1)N)\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC
InChI	InChI=1S/C15H17N5O6S2/c1-25-3-6-4-27-13-9(12(22)20(13)10(6)14(23)24)18-11(21)8(19-26-2)7-5-28-15(16)17-7/h5,9,13H,3-4H2,1-2H3,(H2,16,17)(H,18,21)(H,23,24)/b19-8-/t9-,13-/m1/s1
InChI Key	WYUSVOMTXWRGEK-HBWVYFAYSA-N