Cefepime
Athanor · official
C19H24N6O5S2 · 480.6 g/mol
IUPAC name: 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Also called Maxipime, fourth generation
Names and identifiers
- IUPAC name
- 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
- Synonyms
- Maxipime, fourth generation, 7-[[2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
+ 2 more
CID 2622, DB-057040
- Molecular formula
- C19H24N6O5S2
- Empirical formula
- C19H24N6O5S2
- Molecular weight
- 480.6 g/mol
- Exact mass
- 480.12496
- CAS number
- 88040-23-7
- PubChem CID
- 2622
- Canonical SMILES
- C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-]
- Isomeric SMILES
- C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-]
- InChI
- InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)
- InChIKey
- HVFLCNVBZFFHBT-UHFFFAOYSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 32
- Rings
- 4
- Aromatic rings
- 1
- Fraction sp³ carbons (Fsp3)
- 0.53
- H-bond donors
- 2
- H-bond acceptors
- 10
- Rotatable bonds
- 7 computed here · PubChem 6
- TPSA (Ų)
- 150 computed here · PubChem 204
- Formal charge
- 0
- XLogP3
- -0.1 PubChem
- Complexity
- 869 PubChem
- Stereocenters
- 0 defined, 2 undefinedCIP: C14: undefined · C32: undefined
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C47.49%
- H5.03%
- N17.49%
- O16.65%
- S13.35%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- -1.28 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -1.67 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 4.39 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 480.57
- log P ≤ 5 (Crippen): -1.28
- H-bond donors ≤ 5: 2
- H-bond acceptors ≤ 10: 10
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
Safety data sheets on the supplier’s page: Cooke Chemical Co., Ltd, Debye Scientific Co., Ltd, BenchChem.
Always read the supplier’s safety data sheet before working with it.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.