189345-04-8
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Identity
189345-04-8
(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-3-[[4-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-2-yl]sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
PubChem CID: 9938701
Ceftaroline is 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. It has a role as an antimicrobial agent, an antibacterial drug and a drug metabolite. It is a cephalosporin, an iminium betaine, an oxime O-ether, a member of thiadiazoles and a member of 1,3-thiazoles.
2D Structure
Properties
C22H20N8O5S4
Molecular Formula
604.70
Molecular Weight
g/mol
604.0440
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
287
TPSA
May have limited oral absorption
2
H-Bond Donors
14
H-Bond Acceptors
1040
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
189345-04-8T-91825CeftarolinePPI 0903MH36Z0FHR8K(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-carboxylateCHEBI:70729DTXSID90172341Pyridinium, 4-(2-(((6R,7R)-7-(((2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)-1-oxoethyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)thio)-4-thiazolyl)-1-methyl-, inner salt(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-carboxylateRefChem:57273T91825DTXCID309483291825, TPyridinium, 4-(2-(((6R,7R)-7-(((2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)thio)-4-thiazolyl)-1-methyl-, inner salt
Data from PubChem (NCBI)
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