chempirical

Cefpodoxime

C15H17N5O6S2CAS 80210-62-4427.45 g/mol

Open in Covalent MOL file
OOHONONHONOSNHHNS
AlkeneAmideCarboxylic acidEtherLactamOximeSulfide

Properties

Molecular formula
C15H17N5O6S2
Molar mass
427.45 g/mol
Exact mass
427.0620 Da
logP
0.13Crippen estimate
Polar surface area
160.7 Ų
H-bond donors / acceptors
4 / 9
Rotatable bonds
7
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
80210-62-4
SMILES
COCC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)/C(=NOC)c3csc(=N)[nH]3)[C@H]2SC1
InChIKey
WYUSVOMTXWRGEK-HBWVYFAYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-, (6R,7R)-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-, [6R-[6α,7β(Z)]]-
  • 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-, (6R,7R)-
  • (6R,7R)-7-[[(2Z)-2-(2-Amino-4-thiazolyl)-2-(methoxyimino)acetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • R 3763
  • Cefpodoxime acid

Work with Cefpodoxime

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Cefotaxime63527-52-684 % similar Cefetamet65052-63-379 % similar Cefuzonam82219-78-174 % similar Cefteram82547-58-874 % similar Cefpodoxime proxetil87239-81-473 % similar Cefmenoxime65085-01-073 % similar Ceftiofur80370-57-672 % similar Cefoselis122841-10-570 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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