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CHEBI:70729 - ceftaroline

Default Structure
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.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
antiviral agent  A substance that destroys or inhibits replication of viruses.
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.
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.
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
drug allergen  Any drug which causes the onset of an allergic reaction.
antiinfective agent  A substance used in the prophylaxis or therapy of infectious diseases.
ChEBI Ontology
Outgoing Relation(s)
ceftaroline (CHEBI:70729) has role antibacterial agent (CHEBI:33282)
ceftaroline (CHEBI:70729) has role antibacterial drug (CHEBI:36047)
ceftaroline (CHEBI:70729) has role antiinfective agent (CHEBI:35441)
ceftaroline (CHEBI:70729) has role antimicrobial agent (CHEBI:33281)
ceftaroline (CHEBI:70729) has role antimicrobial agent (CHEBI:33281)
ceftaroline (CHEBI:70729) has role antiviral agent (CHEBI:22587)
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
CeftarolineChEMBL
PPI 0903MChemIDplus
T 91825ChemIDplus
T-91825ChemIDplus
Registry NumbersSources
Reaxys:9532372Reaxys
CAS:189345-04-8ChemIDplus
Citations