loading...| Preferred Name |
hetacillin |
|
| Synonyms |
6beta-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-2,2-dimethylpenam-3alpha-carboxylic acid Hetacillin hetacillinum 6beta-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]penicillanic acid (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 hetacilline hetacilina hetacillin |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_5683 |
|
| charge |
0 |
|
| database_cross_reference |
DrugBank:DB00739 Drug_Central:1363 Wikipedia:Hetacillin Patent:US3198804 CAS:3511-16-8 KEGG:C11729 KEGG:D01074 Beilstein:5405483 |
|
| formula |
C19H23N3O4S |
|
| has_exact_synonym |
6beta-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-2,2-dimethylpenam-3alpha-carboxylic acid Hetacillin |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
hetacillinum 6beta-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]penicillanic acid (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 hetacilline hetacilina hetacillin |
|
| id |
CHEBI:5683 |
|
| in_subset | ||
| 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 |
|
| is_conjugate_acid_of | ||
| label |
hetacillin |
|
| mass |
389.46900 |
|
| monoisotopicmass |
389.14093 |
|
| notation |
CHEBI:5683 |
|
| prefLabel |
hetacillin |
|
| RO_0000087 | ||
| smiles |
[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2N1C(=O)[C@H](NC1(C)C)c1ccccc1)C(O)=O |
|
| subClassOf |