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CHEBI:29007 - ceftriaxone
| Formula | C18H18N8O7S3 |
| Net Charge | 0 |
| Average Mass | 554.592 |
| Monoisotopic Mass | 554.04606 |
| SMILES | [H][C@]12SCC(CSc3nc(=O)c(=O)nn3C)=C(C(=O)O)N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1 |
| InChI | InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1 |
| InChIKey | VAAUVRVFOQPIGI-SPQHTLEESA-N |
| Wikipedia |
|---|
| Roles Classification |
|---|
| Biological Roles: | antibacterial drug A drug used to treat or prevent bacterial infections. EC 3.5.2.6 (beta-lactamase) inhibitor An EC 3.5.2.* (non-peptide cyclic amide C-N hydrolase) inhibitor that interferes with the action of β-lactamase (EC 3.5.2.6). drug allergen Any drug which causes the onset of an allergic reaction. 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. drug allergen Any drug which causes the onset of an allergic reaction. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| ceftriaxone (CHEBI:29007) has role antibacterial drug (CHEBI:36047) |
| ceftriaxone (CHEBI:29007) has role drug allergen (CHEBI:88188) |
| ceftriaxone (CHEBI:29007) has role EC 3.5.2.6 (β-lactamase) inhibitor (CHEBI:35625) |
| ceftriaxone (CHEBI:29007) is a 1,2,4-triazines (CHEBI:39410) |
| ceftriaxone (CHEBI:29007) is a 1,3-thiazoles (CHEBI:38418) |
| ceftriaxone (CHEBI:29007) is a cephalosporin (CHEBI:23066) |
| ceftriaxone (CHEBI:29007) is a oxime O-ether (CHEBI:36816) |
| ceftriaxone (CHEBI:29007) is conjugate acid of ceftriaxone(1−) (CHEBI:53658) |
| Incoming Relation(s) |
| ceftriaxone(1−) (CHEBI:53658) is conjugate base of ceftriaxone (CHEBI:29007) |
| IUPAC Name |
|---|
| 7β-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-3,4-didehydrocepham-4-carboxylic acid |
| INNs | Source |
|---|---|
| ceftriaxona | ChemIDplus |
| ceftriaxone | KEGG DRUG |
| ceftriaxonum | ChemIDplus |
| Synonyms | Source |
|---|---|
| (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-{[(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | IUPAC |
| rocephin | ChEBI |
| Manual Xrefs | Databases |
|---|---|
| 564 | DrugCentral |
| C06683 | KEGG COMPOUND |
| Ceftriaxone | Wikipedia |
| CPD-12294 | MetaCyc |
| D07659 | KEGG DRUG |
| DB01212 | DrugBank |
| GB2022090 | Patent |
| HMDB0015343 | HMDB |
| US4327210 | Patent |
| Registry Numbers | Sources |
|---|---|
| Reaxys:6495519 | Reaxys |
| CAS:73384-59-5 | KEGG DRUG |
| CAS:73384-59-5 | KEGG COMPOUND |
| CAS:73384-59-5 | ChemIDplus |
| Citations |
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