CHEBI:34978 - cloxacillin sodium monohydrate

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ChEBI Name cloxacillin sodium monohydrate
ChEBI ID CHEBI:34978
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C19H17ClN3O5S.Na.H2O
C19H19ClN3NaO6S
Net Charge 0
Average Mass 475.87925
Monoisotopic Mass 475.05808
InChI InChI=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
InChIKey KCUWTKOTPIUBRI-VICXVTCVSA-M
SMILES [Na+].[H]O[H].[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 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 Sources
cloxacillin sodium hydrate KEGG DRUG
Sodium cloxacillin monohydrate KEGG COMPOUND
Brand Names Sources
Bactopen ChemIDplus
Cloxapen KEGG DRUG
Tegopen KEGG DRUG
Manual Xrefs Databases
C14010 KEGG COMPOUND
D02231 KEGG DRUG
View more database links
Registry Numbers Types Sources
7081-44-9 CAS Registry Number KEGG COMPOUND
7081-44-9 CAS Registry Number ChemIDplus
Last Modified
28 July 2014