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CHEBI:52019 - dicloxacillin sodium monohydrate

ChEBI IDCHEBI:52019
ChEBI Namedicloxacillin sodium monohydrate
Stars
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H16Cl2N3O5S.H2O.Na
Net Charge0
Average Mass510.331
Monoisotopic Mass509.01911
SMILES[H]O[H].[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C.[Na+]
InChIInChI=1S/C19H17Cl2N3O5S.Na.H2O/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
InChIKeySIGZQNJITOWQEF-VICXVTCVSA-M
ChEBI Ontology
Outgoing Relation(s)
dicloxacillin sodium monohydrate (CHEBI:52019) has part dicloxacillin sodium (CHEBI:34691)
dicloxacillin sodium monohydrate (CHEBI:52019) is a hydrate (CHEBI:35505)
IUPAC Name 
sodium 6β-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3α-carboxylate—water (1/1)
Synonyms  Source
Dicloxacillin sodiumChemIDplus
sodium (2S,5R,6R)-6-({[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate hydrateIUPAC
Dicloxacillin sodium hydrateChemIDplus
Dicloxacillin sodium salt hydrateChemIDplus
Dicloxacillin sodium monohydrateKEGG COMPOUND
Manual XrefsDatabases
C13756KEGG COMPOUND
D02137KEGG DRUG
Registry NumbersSources
CAS:13412-64-1ChemIDplus
CAS:13412-64-1KEGG COMPOUND