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
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