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CHEBI:124991 - cefalotin
| Formula | C16H16N2O6S2 |
| Net Charge | 0 |
| Average Mass | 396.446 |
| Monoisotopic Mass | 396.04498 |
| SMILES | [H][C@]12SCC(COC(C)=O)=C(C(=O)O)N1C(=O)[C@@]2([H])NC(=O)Cc1cccs1 |
| InChI | InChI=1S/C16H16N2O6S2/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23)/t12-,15-/m1/s1 |
| InChIKey | XIURVHNZVLADCM-IUODEOHRSA-N |
| Wikipedia |
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| Roles Classification |
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| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | antibacterial drug A drug used to treat or prevent bacterial infections. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. 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. allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. 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) |
| cefalotin (CHEBI:124991) has role antibacterial drug (CHEBI:36047) |
| cefalotin (CHEBI:124991) has role antimicrobial agent (CHEBI:33281) |
| cefalotin (CHEBI:124991) is a azabicycloalkene (CHEBI:50896) |
| cefalotin (CHEBI:124991) is a carboxylic acid (CHEBI:33575) |
| cefalotin (CHEBI:124991) is a cephalosporin (CHEBI:23066) |
| cefalotin (CHEBI:124991) is a semisynthetic derivative (CHEBI:72588) |
| cefalotin (CHEBI:124991) is a thiophenes (CHEBI:26961) |
| cefalotin (CHEBI:124991) is a β-lactam antibiotic allergen (CHEBI:88225) |
| cefalotin (CHEBI:124991) is conjugate acid of cefalotin(1−) (CHEBI:50897) |
| Incoming Relation(s) |
| cephalothin sodium (CHEBI:3542) has part cefalotin (CHEBI:124991) |
| cefalotin(1−) (CHEBI:50897) is conjugate base of cefalotin (CHEBI:124991) |
| IUPAC Names |
|---|
| (6R,7R)-3-(acetoxymethyl)-8-oxo-7-(thiophen-2-ylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| 7β-(thiophen-2-ylacetamido)-3-acetoxymethyl-3,4-didehydrocepham-4-carboxylic acid |
| INNs | Source |
|---|---|
| cefalotin | ChEBI |
| céfalotine | ChEBI |
| cefalotina | ChEBI |
| cefalotinum | ChEBI |
| Synonyms | Source |
|---|---|
| CEPHALOTHIN | PDBeChem |
| 3-Acetoxymethyl-7-(2-thienylacetamido)-3-cephem-4-carboxylic acid | ChemIDplus |
| 7-(2-Thienylacetamido)cephalosporanic acid | ChemIDplus |
| 7-(Thiophene-2-acetamido)cephalosporin | ChemIDplus |
| Cephalothin | DrugBank |
| Cefalothin | DrugBank |
| Citations |
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