CHEBI:34614 - cefamandole sodium

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ChEBI Name cefamandole sodium
ChEBI ID CHEBI:34614
Definition An organic sodium salt that is the sodium salt of cefamandole.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB7345179, eMolecules:514387
Download Molfile XML SDF
Formula C18H17N6NaO5S2
Net Charge 0
Average Mass 484.48500
Monoisotopic Mass 484.05995
InChI InChI=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
InChIKey OJMNTWPPFNMOCJ-CFOLLTDRSA-M
SMILES [Na+].[H][C@]12SCC(CSc3nnnn3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)c1ccccc1)C([O-])=O
Roles Classification
Biological Role(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
cefamandole sodium salt ChEBI
cephamandole sodium ChEBI
cephamandole sodium salt ChEBI
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-carboxylate ChemIDplus
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-carboxylate IUPAC
Brand Name Source
Kefdole KEGG DRUG
Manual Xrefs Databases
C13968 KEGG COMPOUND
D02191 KEGG DRUG
View more database links
Registry Numbers Types Sources
30034-03-8 CAS Registry Number KEGG COMPOUND
30034-03-8 CAS Registry Number ChemIDplus
4901274 Reaxys Registry Number Reaxys
Last Modified
01 May 2013