EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3498 - cefotaxime sodium

ChEBI IDCHEBI:3498
ChEBI Namecefotaxime sodium
Stars
DefinitionA cephalosporin organic sodium salt having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side-groups.
Last Modified27 May 2014
DownloadsMolfile
FormulaC16H16N5O7S2.Na
Net Charge0
Average Mass477.456
Monoisotopic Mass477.03888
SMILES[H][C@]12SCC(COC(C)=O)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)/C(=N\OC)c1csc(N)n1.[Na+]
InChIInChI=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
InChIKeyAZZMGZXNTDTSME-JUZDKLSSSA-M
ChEBI Ontology
Outgoing Relation(s)
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  Source
CTXKEGG DRUG
(+)-Cefotaxime sodium saltChemIDplus
CefotaximeChemIDplus
Sodium 7-(2-(2-amino-4-thiazolyl)-2-methoxyiminoacetamido)cephalosporanateChemIDplus
Sodium cefotaximeChemIDplus
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-carboxylateIUPAC
Manual XrefsDatabases
C08113KEGG COMPOUND
D00919KEGG DRUG
DB00493DrugBank
Registry NumbersSources
Beilstein:8181277Beilstein
Gmelin:1804247Gmelin
CAS:64485-93-4KEGG COMPOUND
CAS:64485-93-4KEGG DRUG
CAS:64485-93-4ChemIDplus
Citations