CHEBI:34691 - dicloxacillin sodium

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ChEBI Name dicloxacillin sodium
ChEBI ID CHEBI:34691
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C19H16Cl2N3NaO5S
Net Charge 0
Average Mass 492.30800
Monoisotopic Mass 491.00854
InChI InChI=1S/C19H17Cl2N3O5S.Na/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);/q;+1/p-1/t13-,14+,17-;/m1./s1
InChIKey GXOMMGAFBINOJY-SLINCCQESA-M
SMILES [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(C)onc1-c1c(Cl)cccc1Cl)C([O-])=O
ChEBI Ontology
Outgoing dicloxacillin sodium (CHEBI:34691) has part dicloxacillin(1−) (CHEBI:52017)
dicloxacillin sodium (CHEBI:34691) is a organic sodium salt (CHEBI:38700)
Incoming dicloxacillin sodium monohydrate (CHEBI:52019) has part dicloxacillin sodium (CHEBI:34691)
IUPAC Name
sodium 6β-{[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]carboxamido}-2,2-dimethylpenam-3α-carboxylate
Synonyms Sources
Dicloxacillin sodium KEGG COMPOUND
Sodium dicloxacillin ChemIDplus
Manual Xrefs Databases
C13756 KEGG COMPOUND
DB00485 DrugBank
View more database links
Registry Numbers Types Sources
343-55-5 CAS Registry Number ChemIDplus
4778711 Beilstein Registry Number Beilstein
Last Modified
18 October 2009