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CHEBI:7810 - oxacillin sodium monohydrate

ChEBI IDCHEBI:7810
ChEBI Nameoxacillin sodium monohydrate
Stars
Last Modified13 March 2009
DownloadsMolfile
FormulaC19H18N3O5S.H2O.Na
Net Charge0
Average Mass441.441
Monoisotopic Mass441.09705
SMILES[H]O[H].[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(-c2ccccc2)noc1C.[Na+]
InChIInChI=1S/C19H19N3O5S.Na.H2O/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
InChIKeyZVIYWUUZWWBNMB-VICXVTCVSA-M
ChEBI Ontology
Outgoing Relation(s)
oxacillin sodium monohydrate (CHEBI:7810) has part oxacillin sodium (CHEBI:52134)
oxacillin sodium monohydrate (CHEBI:7810) is a hydrate (CHEBI:35505)
IUPAC Name 
sodium 2,2-dimethyl-6β-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3α-carboxylate—water (1/1)
Synonyms  Source
Oxacillin sodium salt monohydrateKEGG COMPOUND
sodium 6β-(5-methyl-3-phenylisoxazol-4-yl)penicillanate hydrateChEBI
Manual XrefsDatabases
D00929KEGG DRUG
Registry NumbersSources
CAS:7240-38-2KEGG DRUG