Desmethyl Ceftaroline Fosamil
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Basic information
- CAS
1286218-72-1- Standard SMILES
CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccncc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1- InChIKey
KNFZNJURPUBKOA-VKKUPRKASA-N- Molecular formula
- C21H19N8O8PS4
- Average molar mass
- 670.7 g/mol
Names & identifiers
- Preferred name
- Desmethyl Ceftaroline Fosamil
- IUPAC
- (6R,7R)-7-[[(2Z)-2-ethoxyimino-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)sulfanyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- English name
- Ceftaroline Fosamil Impurity 1
- Molecular formula
- C21H19N8O8PS4
- Molecular weight
- 670.66
Names & synonyms
1286218-72-1Desmethyl Ceftaroline FosamilCeftaroline Fosamil Impurity 5Ceftaroline Impurity 6SCHEMBL17431719(6R,7R)-7-((Z)-2-(ethoxyimino)-2-(5-(phosphonoamino)-1,2,4-thiadiazol-3-yl)acetamido)-8-oxo-3-((4-(pyridin-4-yl)thiazol-2-yl)thio)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-oxo-3-[[4-(4-pyridinyl)-2-thiazolyl]thio]-, (6R,7R)-Ceftaroline Fosamil Impurity D
Database identifiers
- CAS
1286218-72-1
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 337 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 11
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,190
Chemistry & industry
Applications
UsesDesmethyl Ceftaroline Fosamil is an impurity of Ceftaroline Fosamil Inner salt(C243970); a cephalosporin antibiotic. It is active against methicillin-resistant Staphylococcus aureus (MRSA) and Gram-positive bacteria.
Related reactions
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Compound notes
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