CHEBI:3498 - cefotaxime sodium

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ChEBI Name cefotaxime sodium
ChEBI ID CHEBI:3498
Definition A cephalosporin organic sodium salt having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C16H16N5NaO7S2
C16H16N5O7S2.Na
Net Charge 0
Average Mass 477.44700
Monoisotopic Mass 477.03888
InChI InChI=1S/C16H17N5O7S2.Na/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8;/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26);/q;+1/p-1/b20-9-;/t10-,14-;/m1./s1
InChIKey AZZMGZXNTDTSME-JUZDKLSSSA-M
SMILES [Na+].[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\c1csc(N)n1)C([O-])=O
ChEBI Ontology
Outgoing cefotaxime sodium (CHEBI:3498) has part cefotaxime(1−) (CHEBI:53670)
cefotaxime sodium (CHEBI:3498) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium 3-(acetoxymethyl)-7β-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-3,4-didehydrocepham-4-carboxylate
Synonyms Sources
(+)-Cefotaxime sodium salt ChemIDplus
Cefotaxime ChemIDplus
CTX KEGG DRUG
sodium (6R,7R)-3-(acetoxymethyl)-7-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC
Sodium 7-(2-(2-amino-4-thiazolyl)-2-methoxyiminoacetamido)cephalosporanate ChemIDplus
Sodium cefotaxime ChemIDplus
Manual Xrefs Databases
C08113 KEGG COMPOUND
D00919 KEGG DRUG
DB00493 DrugBank
View more database links
Registry Numbers Types Sources
1804247 Gmelin Registry Number Gmelin
64485-93-4 CAS Registry Number KEGG COMPOUND
64485-93-4 CAS Registry Number ChemIDplus
64485-93-4 CAS Registry Number KEGG DRUG
8181277 Beilstein Registry Number Beilstein
Citation Waiting for Citations Type Source
24741808 PubMed citation Europe PMC
Last Modified
27 May 2014