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CHEBI:70715 - ceftaroline fosamil acetate

ChEBI IDCHEBI:70715
ChEBI Nameceftaroline fosamil acetate
Stars
DefinitionAn acetate salt obtained by reaction of ceftaroline fosamil with one equivalent of acetic acid. A prodrug for ceftaroline, used for the treatment of adults with acute bacterial skin and skin structure infections.
Last Modified19 October 2012
SubmitterSteve
DownloadsMolfile
FormulaC22H21N8O8PS4.C2H4O2
Net Charge0
Average Mass744.752
Monoisotopic Mass744.03141
SMILESCC(=O)O.[H][C@]12SCC(Sc3nc(-c4cc[n+](C)cc4)cs3)=C(C(=O)[O-])N1C(=O)[C@H]2NC(=O)/C(=N\OCC)c1nsc(NP(=O)(O)O)n1
InChIInChI=1S/C22H21N8O8PS4.C2H4O2/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10;1-2(3)4/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37);1H3,(H,3,4)/b26-13-;/t14-,19-;/m1./s1
InChIKeyUGHHNQFYEVOFIV-VRDMTWHKSA-N
Wikipedia
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.
Applications:
prodrug  A compound that, on administration, must undergo chemical conversion by metabolic processes before becoming the pharmacologically active drug for which it is a prodrug.
antibacterial drug  A drug used to treat or prevent bacterial infections.
ChEBI Ontology
Outgoing Relation(s)
ceftaroline fosamil acetate (CHEBI:70715) has part ceftaroline fosamil (CHEBI:70718)
ceftaroline fosamil acetate (CHEBI:70715) has role antibacterial drug (CHEBI:36047)
ceftaroline fosamil acetate (CHEBI:70715) has role antimicrobial agent (CHEBI:33281)
ceftaroline fosamil acetate (CHEBI:70715) has role prodrug (CHEBI:50266)
ceftaroline fosamil acetate (CHEBI:70715) is a acetate salt (CHEBI:59230)
Incoming Relation(s)
ceftaroline fosamil acetate monohydrate (CHEBI:70714) has part ceftaroline fosamil acetate (CHEBI:70715)
IUPAC Names 
(6R,7R)-7-({(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]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 acetate
ceftaroline fosamil acetate (anhydrous)
Manual XrefsDatabases
Ceftaroline_fosamilWikipedia
Registry NumbersSources
Reaxys:9540645Reaxys
CAS:400827-46-5ChemIDplus
Citations