loading...| Preferred Name |
hetacillin |
|
| Synonyms |
hetacilline (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 C19H23N3O4S 6beta-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]penicillanic acid hetacillin Hetacillin 6beta-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-2,2-dimethylpenam-3alpha-carboxylic acid hetacilina hetacillinum |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5683 |
|
| ATCCode |
J01CA18 |
|
| CASRN |
3511-16-8 |
|
| DBBrand |
versapen-k versapen hetacillin potassium |
|
| DBname |
hetacillin |
|
| Definition |
A penicillin that has formula C19H23N3O4S. |
|
| has pharmacological target |
http://purl.obolibrary.org/obo/dinto_0413 http://purl.obolibrary.org/obo/dinto_3285 http://purl.obolibrary.org/obo/dinto_3289 |
|
| has role | ||
| 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 |
InChIKey=DXVUYOAEDJXBPY-NFFDBFGFSA-N |
|
| inhibits |
http://purl.obolibrary.org/obo/dinto_0413 http://purl.obolibrary.org/obo/dinto_3285 http://purl.obolibrary.org/obo/dinto_3289 |
|
| label |
hetacillin |
|
| may interact with |
http://purl.obolibrary.org/obo/CHEBI_50845 http://purl.obolibrary.org/obo/CHEBI_27902 http://purl.obolibrary.org/obo/dinto_DB00977 |
|
| prefixIRI |
obo2:CHEBI_5683 |
|
| prefLabel |
hetacillin |
|
| SMILES |
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)C1=CC=CC=C1)C(O)=O [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)c1ccccc1)C(O)=O |
|
| Synonym |
hetacilline (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 C19H23N3O4S 6beta-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]penicillanic acid hetacillin Hetacillin 6beta-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-2,2-dimethylpenam-3alpha-carboxylic acid hetacilina hetacillinum |
|
| xref |
DrugBank:DB00739 PharmGKB:PA164746559 KEGG DRUG:D01074 KEGG COMPOUND:C11729 PubChem Substance:46504545 CASRN:3511-16-8 Patent:US3198804 ChEMBL:775067 Beilstein:5405483 ChemSpider:391616 ChEBI:5683 Wikipedia:Hetacillin PubChem Compound:443387 Wikipedia:http://en.wikipedia.org/wiki/Hetacillin |
|
| subClassOf |