HuagongsheHuagongshe Chemistry Print Report · For research reference only
Cephapirin lactone
cephapirin lactone · Cefapirin Impurity · Caprylic Acid Impurity · Caprylic Acid Impurity 11 · Cefpimizole Lactone (EP Impurity A) · Cefcapene Pivoxil Lactone (EP Impurity A) · Acetamide, 2-(4-pyridinylthio)-N-[(5aR,6R)-1,4,5a,6-tetrahydro-1,7-dioxo-3H,7H-azeto[2,1-b]furo[3,4-d][1,3]thiazin-6-yl]-

Identifiers & Physical Properties
| CAS No. | 60517-75-1 |
|---|---|
| Molecular formula | C15H13N3O4S2 |
| Average molar mass | 363.4 g/mol |
| Monoisotopic mass | 363.0347479 g/mol |
| SMILES | O=C(CSc1ccncc1)N[C@@H]1C(=O)N2C3=C(COC3=O)CS[C@H]12 |
| InChIKey | LINJTNNYPFWNIF-BXUZGUMPSA-N |
| PubChem CID | 162917 |
| DTXSID | DTXSID80975929 |
Chemical & Physical Properties
| XLogP | 0 |
|---|---|
| Topological polar surface area | 139 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 7 |
| Rotatable bonds | 4 |
| Heavy atoms | 24 |
| Formal charge | 0 |
| Complexity | 618 |
| Boiling point | 829.1±65.0 °C(Predicted) |
| Density | 1.62±0.1 g/cm3(Predicted) |
| pKa (acidity coefficient) | 11.84±0.20(Predicted) |
| FDA UNII | 88E7H23KRY |
Applications & Uses
Uses
Cephapirin lactone is a Metabolite of antibiotic Cephapirin (HY-A0153)[1].