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CHEBI:3545 - cephapirin sodium
| Formula | C17H16N3O6S2.Na |
| Net Charge | 0 |
| Average Mass | 445.454 |
| Monoisotopic Mass | 445.03782 |
| SMILES | [H][C@]12SCC(COC(C)=O)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)CSc1ccncc1.[Na+] |
| InChI | InChI=1S/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1/t13-,16-;/m1./s1 |
| InChIKey | VGEOUKPOQQEQSX-OALZAMAHSA-M |
| Roles Classification |
|---|
| Biological Roles: | antibacterial drug A drug used to treat or prevent bacterial infections. drug allergen Any drug which causes the onset of an allergic reaction. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Applications: | antibacterial drug A drug used to treat or prevent bacterial infections. drug allergen Any drug which causes the onset of an allergic reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| cephapirin sodium (CHEBI:3545) has part cephapirin(1−) (CHEBI:59217) |
| cephapirin sodium (CHEBI:3545) has role antibacterial drug (CHEBI:36047) |
| cephapirin sodium (CHEBI:3545) is a cephalosporin (CHEBI:23066) |
| cephapirin sodium (CHEBI:3545) is a organic sodium salt (CHEBI:38700) |
| IUPAC Name |
|---|
| sodium (6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-{[(pyridin-4-ylsulfanyl)acetyl]amino}-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Synonyms | Source |
|---|---|
| Cefapirin sodium | KEGG COMPOUND |
| Cephapirin sodium | KEGG COMPOUND |
| monosodium (6R,7R)-3-(hydroxymethyl)-8-oxo-7-(2-(4-pyridylthio)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate acetate | ChemIDplus |
| sodium 7-(pyrid-4-ylthioacetamido)cephalosporanate | ChEBI |
| Sodium cefapirin | KEGG COMPOUND |