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CHEBI:34978 - cloxacillin sodium monohydrate

ChEBI IDCHEBI:34978
ChEBI Namecloxacillin sodium monohydrate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC19H17ClN3O5S.H2O.Na
Net Charge0
Average Mass475.886
Monoisotopic Mass475.05808
SMILES[H]O[H].[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(-c2ccccc2Cl)noc1C.[Na+]
InChIInChI=1S/C19H18ClN3O5S.Na.H2O/c1-8-11(12(22-28-8)9-6-4-5-7-10(9)20)15(24)21-13-16(25)23-14(18(26)27)19(2,3)29-17(13)23;;/h4-7,13-14,17H,1-3H3,(H,21,24)(H,26,27);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
InChIKeyKCUWTKOTPIUBRI-VICXVTCVSA-M
ChEBI Ontology
Outgoing Relation(s)
cloxacillin sodium monohydrate (CHEBI:34978) has part cloxacillin sodium (CHEBI:51357)
cloxacillin sodium monohydrate (CHEBI:34978) is a hydrate (CHEBI:35505)
cloxacillin sodium monohydrate (CHEBI:34978) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 2,2-dimethyl-6β-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3α-carboxylate hydrate
Synonyms  Source
Sodium cloxacillin monohydrateKEGG COMPOUND
cloxacillin sodium hydrateKEGG DRUG
Brand Names  Source
CloxapenKEGG DRUG
TegopenKEGG DRUG
BactopenChemIDplus
Manual XrefsDatabases
C14010KEGG COMPOUND
D02231KEGG DRUG
Registry NumbersSources
CAS:7081-44-9KEGG COMPOUND
CAS:7081-44-9ChemIDplus