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CHEBI:51357 - cloxacillin sodium

ChEBI IDCHEBI:51357
ChEBI Namecloxacillin sodium
Stars
Last Modified13 January 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H17ClN3O5S.Na
Net Charge0
Average Mass457.871
Monoisotopic Mass457.04751
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)[O-])N1C(=O)[C@H]2NC(=O)c1c(-c2ccccc2Cl)noc1C.[Na+]
InChIInChI=1S/C19H18ClN3O5S.Na/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);/q;+1/p-1/t13-,14+,17-;/m1./s1
InChIKeySCLZRKVZRBKZCR-SLINCCQESA-M
ChEBI Ontology
Outgoing Relation(s)
cloxacillin sodium (CHEBI:51357) has part cloxacillin(1−) (CHEBI:51350)
cloxacillin sodium (CHEBI:51357) is a organic sodium salt (CHEBI:38700)
Incoming Relation(s)
cloxacillin sodium monohydrate (CHEBI:34978) has part cloxacillin sodium (CHEBI:51357)
IUPAC Name 
sodium 2,2-dimethyl-6β-({[5-methyl-3-(2-chlorophenyl)isoxazol-4-yl]carbonyl}amino)penam-3α-carboxylate
Synonyms  Source
monosodium cloxacillinChemIDplus
cloxacillin sodium anhydrousChemIDplus
3-o-chlorophenyl-5-methyl-4-isoxazolylpenicillin sodiumChemIDplus
Registry NumbersSources
Beilstein:5403885Beilstein
CAS:642-78-4ChemIDplus