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CHEBI:70729 - ceftaroline

ChEBI IDCHEBI:70729
ChEBI Nameceftaroline
Stars
DefinitionA cephalosporin that is the active metabolite of the prodrug ceftaroline fosamil. Used for the treatment of adults with acute bacterial skin and skin structure infections.
Last Modified22 October 2012
SubmitterSteve
DownloadsMolfile
FormulaC22H20N8O5S4
Net Charge0
Average Mass604.721
Monoisotopic Mass604.04395
SMILES[H][C@]12SCC(Sc3nc(-c4cc[n+](C)cc4)cs3)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)/C(=N\OCC)c1nsc(N)n1
InChIInChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/b27-13-/t14-,19-/m1/s1
InChIKeyRGFBRLNVZCCMSV-BIRGHMBHSA-N
Roles Classification
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antibacterial drug  A drug used to treat or prevent bacterial infections.
drug allergen  Any drug which causes the onset of an allergic reaction.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Applications:
antibacterial drug  A drug used to treat or prevent bacterial infections.
drug allergen  Any drug which causes the onset of an allergic reaction.
ChEBI Ontology
Outgoing Relation(s)
ceftaroline (CHEBI:70729) has role antibacterial drug (CHEBI:36047)
ceftaroline (CHEBI:70729) has role antimicrobial agent (CHEBI:33281)
ceftaroline (CHEBI:70729) has role drug metabolite (CHEBI:49103)
ceftaroline (CHEBI:70729) is a 1,3-thiazoles (CHEBI:38418)
ceftaroline (CHEBI:70729) is a cephalosporin (CHEBI:23066)
ceftaroline (CHEBI:70729) is a iminium betaine (CHEBI:35285)
ceftaroline (CHEBI:70729) is a oxime O-ether (CHEBI:36816)
ceftaroline (CHEBI:70729) is a thiadiazoles (CHEBI:38099)
Incoming Relation(s)
ceftaroline fosamil (CHEBI:70718) has functional parent ceftaroline (CHEBI:70729)
IUPAC Name 
(6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-3-{[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Synonyms  Source
T 91825ChemIDplus
PPI 0903MChemIDplus
T-91825ChemIDplus
Registry NumbersSources
Reaxys:9532372Reaxys
CAS:189345-04-8ChemIDplus
Citations