CHEBI:70729 - ceftaroline

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ChEBI Name ceftaroline
ChEBI ID CHEBI:70729
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H20N8O5S4
Net Charge 0
Average Mass 604.70500
Monoisotopic Mass 604.04395
InChI InChI=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
InChIKey RGFBRLNVZCCMSV-BIRGHMBHSA-N
SMILES [H][C@]12SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\c1nsc(N)n1)C([O-])=O
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via heterocyclic antibiotic )
drug metabolite

antibacterial drug
A drug used to treat or prevent bacterial infections.
drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
Application(s): antibacterial drug
A drug used to treat or prevent bacterial infections.
drug allergen
Any drug which causes the onset of an allergic reaction.
(via cephalosporin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
PPI 0903M ChemIDplus
T 91825 ChemIDplus
T-91825 ChemIDplus
Registry Numbers Types Sources
189345-04-8 CAS Registry Number ChemIDplus
9532372 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
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Last Modified
22 October 2012