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CHEBI:5683 - hetacillin
| Formula | C19H23N3O4S |
| Net Charge | 0 |
| Average Mass | 389.477 |
| Monoisotopic Mass | 389.14093 |
| SMILES | [H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2N1C(=O)[C@@H](c2ccccc2)NC1(C)C |
| InChI | InChI=1S/C19H23N3O4S/c1-18(2)13(17(25)26)21-15(24)12(16(21)27-18)22-14(23)11(20-19(22,3)4)10-8-6-5-7-9-10/h5-9,11-13,16,20H,1-4H3,(H,25,26)/t11-,12-,13+,16-/m1/s1 |
| InChIKey | DXVUYOAEDJXBPY-NFFDBFGFSA-N |
| Wikipedia |
|---|
| 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: | antibacterial drug A drug used to treat or prevent bacterial infections. 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. |
| Application: | antibacterial drug A drug used to treat or prevent bacterial infections. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| hetacillin (CHEBI:5683) has role antibacterial drug (CHEBI:36047) |
| hetacillin (CHEBI:5683) is a penicillin (CHEBI:17334) |
| hetacillin (CHEBI:5683) is conjugate acid of hetacillin(1−) (CHEBI:52059) |
| Incoming Relation(s) |
| hetacillin(1−) (CHEBI:52059) is conjugate base of hetacillin (CHEBI:5683) |
| IUPAC Name |
|---|
| 6β-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-2,2-dimethylpenam-3α-carboxylic acid |
| INNs | Source |
|---|---|
| hetacilina | ChemIDplus |
| hetacillin | ChemIDplus |
| hetacilline | ChemIDplus |
| hetacillinum | ChemIDplus |
| Synonyms | Source |
|---|---|
| (2S,5R,6R)-6-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | IUPAC |
| 6β-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]penicillanic acid | ChEBI |
| Hetacillin | KEGG COMPOUND |