CHEBI:51357 - cloxacillin sodium

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cloxacillin sodium
ChEBI ID CHEBI:51357
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H17ClN3NaO5S
Net Charge 0
Average Mass 457.86397
Monoisotopic Mass 457.048
InChI InChI=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
InChIKey SCLZRKVZRBKZCR-SLINCCQESA-M
SMILES [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1Cl)C([O-])=O
ChEBI Ontology
Outgoing cloxacillin sodium (CHEBI:51357) has part cloxacillin(1−) (CHEBI:51350)
cloxacillin sodium (CHEBI:51357) is a organic sodium salt (CHEBI:38700)
Incoming 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 Sources
3-o-chlorophenyl-5-methyl-4-isoxazolylpenicillin sodium ChemIDplus
cloxacillin sodium anhydrous ChemIDplus
monosodium cloxacillin ChemIDplus
Registry Numbers Types Sources
5403885 Beilstein Registry Number Beilstein
642-78-4 CAS Registry Number ChemIDplus
Last Modified
13 January 2009