ceftaroline fosamil acetate monohydrate (CHEBI:70714)

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CHEBI:70714 - ceftaroline fosamil acetate monohydrate

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ChEBI ID	CHEBI:70714
ChEBI Name	ceftaroline fosamil acetate monohydrate
Stars
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.
Last Modified	19 October 2012
Submitter	Steve
Downloads	Molfile

Formula	C22H21N8O8PS4.C2H4O2.H2O
Net Charge	0
Average Mass	762.767
Monoisotopic Mass	762.04197
SMILES	CC(=O)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
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

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 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 Xrefs	Databases
D08884	KEGG DRUG

Registry Numbers	Sources
CAS:866021-48-9	KEGG DRUG
CAS:866021-48-9	ChemIDplus
CAS:400827-55-6	ChemIDplus

Citations