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CHEBI:34614 - cefamandole sodium

ChEBI IDCHEBI:34614
ChEBI Namecefamandole sodium
Stars
DefinitionAn organic sodium salt that is the sodium salt of cefamandole.
Last Modified1 May 2013
DownloadsMolfile
FormulaC18H17N6O5S2.Na
Net Charge0
Average Mass484.495
Monoisotopic Mass484.05995
SMILES[H][C@]12SCC(CSc3nnnn3C)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1.[Na+]
InChIInChI=1S/C18H18N6O5S2.Na/c1-23-18(20-21-22-23)31-8-10-7-30-16-11(15(27)24(16)12(10)17(28)29)19-14(26)13(25)9-5-3-2-4-6-9;/h2-6,11,13,16,25H,7-8H2,1H3,(H,19,26)(H,28,29);/q;+1/p-1/t11-,13-,16-;/m1./s1
InChIKeyOJMNTWPPFNMOCJ-CFOLLTDRSA-M
Roles Classification
Biological Role:
antibacterial drug  A drug used to treat or prevent bacterial infections.
Application:
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
cefamandole sodium (CHEBI:34614) has part cefamandole(1−) (CHEBI:53652)
cefamandole sodium (CHEBI:34614) has role antibacterial drug (CHEBI:36047)
cefamandole sodium (CHEBI:34614) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium 7β-[(2R)-2-hydroxy-2-phenylacetamido]-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}ceph-3-em-4-carboxylate
Synonyms  Source
cephamandole sodiumChEBI
sodium (6R,7R)-7-{[(2R)-2-hydroxy-2-phenylacetyl]amino}-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateIUPAC
cefamandole sodium saltChEBI
cephamandole sodium saltChEBI
monosodium (6R,7R)-7-(R)-mandelamido-3-(((1-methyl-1-H-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylateChemIDplus
Brand Name  Source
KefdoleKEGG DRUG
Manual XrefsDatabases
C13968KEGG COMPOUND
D02191KEGG DRUG
Registry NumbersSources
Reaxys:4901274Reaxys
CAS:30034-03-8KEGG COMPOUND
CAS:30034-03-8ChemIDplus