CHEBI:70714 - ceftaroline fosamil acetate monohydrate

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ChEBI Name ceftaroline fosamil acetate monohydrate
ChEBI ID CHEBI:70714
Definition A hydrate that is the monohydrate form of ceftaroline fosamil acetate. A prodrug for ceftaroline, 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 C24H27N8O11PS4
Net Charge 0
Average Mass 762.75200
Monoisotopic Mass 762.04198
InChI InChI=1S/C22H21N8O8PS4.C2H4O2.H2O/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);1H2/b26-13-;;/t14-,19-;;/m1../s1
InChIKey KRWPPVCZNGQQHZ-IINIBMQSSA-N
SMILES O.CC(O)=O.[H][C@]12SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\c1nsc(NP(O)(O)=O)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.
antibacterial drug
A drug used to treat or prevent bacterial infections.
Application(s): 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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ceftaroline fosamil acetate monohydrate (CHEBI:70714) has part ceftaroline fosamil acetate (CHEBI:70715)
ceftaroline fosamil acetate monohydrate (CHEBI:70714) has role antibacterial drug (CHEBI:36047)
ceftaroline fosamil acetate monohydrate (CHEBI:70714) has role antimicrobial agent (CHEBI:33281)
ceftaroline fosamil acetate monohydrate (CHEBI:70714) has role prodrug (CHEBI:50266)
ceftaroline fosamil acetate monohydrate (CHEBI:70714) is a hydrate (CHEBI:35505)
IUPAC Name
(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—water (1/1)
INN Source
ceftaroline fosamil KEGG DRUG
Synonym Source
Ceftaroline fosamil acetate hydrate ChemIDplus
Brand Name Source
Teflaro KEGG DRUG
Manual Xref Database
D08884 KEGG DRUG
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Registry Numbers Types Sources
400827-55-6 CAS Registry Number ChemIDplus
866021-48-9 CAS Registry Number KEGG DRUG
866021-48-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
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Last Modified
19 October 2012