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CHEBI:3414 - carfecillin
| Formula | C23H22N2O6S |
| Net Charge | 0 |
| Average Mass | 454.504 |
| Monoisotopic Mass | 454.11986 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)C(C(=O)Oc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1 |
| InChIKey | NZDASSHFKWDBBU-KVMCETHSSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| carfecillin (CHEBI:3414) has functional parent carbenicillin (CHEBI:3393) |
| carfecillin (CHEBI:3414) is a penicillin (CHEBI:17334) |
| carfecillin (CHEBI:3414) is conjugate acid of carfecillin(1−) (CHEBI:51906) |
| Incoming Relation(s) |
| carfecillin(1−) (CHEBI:51906) is conjugate base of carfecillin (CHEBI:3414) |
| IUPAC Name |
|---|
| 2,2-dimethyl-6β-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]penam-3α-carboxylic acid |
| INNs | Source |
|---|---|
| carfecilina | ChemIDplus |
| carfecilline | ChemIDplus |
| carfecillinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| Carfecillin | KEGG COMPOUND |
| Carbenicillin phenyl | KEGG COMPOUND |
| (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(3-oxo-3-phenoxy-2-phenylpropanoyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | IUPAC |
| carbenicillin phenyl ester | ChemIDplus |
| 6-(2-Phenoxycarbonyl-2-phenylacetamido)penicillansäure | ChemIDplus |
| Registry Numbers | Sources |
|---|---|
| Beilstein:5405930 | Beilstein |
| Beilstein:1095507 | Beilstein |
| CAS:27025-49-6 | KEGG COMPOUND |
| CAS:27025-49-6 | ChemIDplus |