CHEBI:7810 - oxacillin sodium monohydrate

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ChEBI Name oxacillin sodium monohydrate
ChEBI ID CHEBI:7810
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C19H18N3O5S.Na.H2O
C19H20N3NaO6S
Net Charge 0
Average Mass 441.43300
Monoisotopic Mass 441.09705
InChI InChI=1S/C19H19N3O5S.Na.H2O/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);;1H2/q;+1;/p-1/t13-,14+,17-;;/m1../s1
InChIKey ZVIYWUUZWWBNMB-VICXVTCVSA-M
SMILES [Na+].[H]O[H].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1ccccc1)C([O-])=O
ChEBI Ontology
Outgoing oxacillin sodium monohydrate (CHEBI:7810) has part oxacillin sodium (CHEBI:52134)
oxacillin sodium monohydrate (CHEBI:7810) is a hydrate (CHEBI:35505)
IUPAC Name
sodium 2,2-dimethyl-6β-(5-methyl-3-phenyl-1,2-oxazole-4-carboxamido)penam-3α-carboxylate—water (1/1)
Synonyms Sources
Oxacillin sodium salt monohydrate KEGG COMPOUND
sodium 6β-(5-methyl-3-phenylisoxazol-4-yl)penicillanate hydrate ChEBI
Manual Xref Database
D00929 KEGG DRUG
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Registry Number Type Source
7240-38-2 CAS Registry Number KEGG DRUG
Last Modified
13 March 2009