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CHEBI:3505 - cefpodoxime proxetil
| Formula | C21H27N5O9S2 |
| Net Charge | 0 |
| Average Mass | 557.607 |
| Monoisotopic Mass | 557.12502 |
| SMILES | [H][C@]12SCC(COC)=C(C(=O)OC(C)OC(=O)OC(C)C)N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1 |
| InChI | InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1 |
| InChIKey | LTINZAODLRIQIX-FBXRGJNPSA-N |
| Roles Classification |
|---|
| 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. 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: | prodrug A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug. 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) |
| cefpodoxime proxetil (CHEBI:3505) has functional parent 4-{((R)-2-Carboxy-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-[(Z)-methoxyimino]-methyl}-thiazol-2-yl-ammonium (CHEBI:417636) |
| cefpodoxime proxetil (CHEBI:3505) has functional parent cefpodoxime (CHEBI:3504) |
| cefpodoxime proxetil (CHEBI:3505) has role antibacterial drug (CHEBI:36047) |
| cefpodoxime proxetil (CHEBI:3505) has role prodrug (CHEBI:50266) |
| cefpodoxime proxetil (CHEBI:3505) is a carboxylic acid (CHEBI:33575) |
| cefpodoxime proxetil (CHEBI:3505) is a carboxylic ester (CHEBI:33308) |
| cefpodoxime proxetil (CHEBI:3505) is a cephalosporin (CHEBI:23066) |
| IUPAC Names |
|---|
| 1-{[(propan-2-yloxy)carbonyl]oxy}ethyl 7β-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido]-3-(methoxymethyl)-3,4-didehydrocepham-4-carboxylate |
| 1-{[(propan-2-yloxy)carbonyl]oxy}ethyl (6R,7R)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| Synonyms | Source |
|---|---|
| (RS)-1-((isopropoxycarbonyl)oxy)ethyl (+)-(6R,7R)-7-(2-(2-amino-4-thiazolyl)-2-((Z)-methoxyimino)acetamido)-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate | ChemIDplus |
| cefpodoxime 1-(isopropyloxycarbonyloxy)ethyl ester | ChEBI |