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CHEBI:34789 - hetacillin potassium

ChEBI IDCHEBI:34789
ChEBI Namehetacillin potassium
Stars
Last Modified5 March 2009
DownloadsMolfile
FormulaC19H22N3O4S.K
Net Charge0
Average Mass427.567
Monoisotopic Mass427.09681
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2N1C(=O)[C@@H](c2ccccc2)NC1(C)C.[K+]
InChIInChI=1S/C19H23N3O4S.K/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);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
InChIKeyQRSPJBLLJXVPDD-XFAPPKAWSA-M
ChEBI Ontology
Outgoing Relation(s)
hetacillin potassium (CHEBI:34789) has part hetacillin(1−) (CHEBI:52059)
hetacillin potassium (CHEBI:34789) is a organic potassium salt (CHEBI:50394)
IUPAC Name 
potassium 6β-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]-2,2-dimethylpenam-3α-carboxylate
Synonyms  Source
potassium (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-carboxylateIUPAC
potassium 6β-[(4R)-2,2-dimethyl-5-oxo-4-phenylimidazolidin-1-yl]penicillanateChEBI
Manual XrefsDatabases
C13980KEGG COMPOUND
DB00739DrugBank
D02203KEGG DRUG
Registry NumbersSources
Beilstein:5403821Beilstein
CAS:5321-32-4KEGG COMPOUND