ChemSpider 2D Image | Ceftaroline fosamil | C22H21N8O8PS4

Ceftaroline fosamil

  • Molecular FormulaC22H21N8O8PS4
  • Average mass684.685 Da
  • Monoisotopic mass684.010254 Da
  • ChemSpider ID8028692

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(6R,7R)-7-({(2Z)-2-(Ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}amino)-3-{[4-(1-methyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-carboxy lat [German] [ACD/IUPAC Name]
(6R,7R)-7-({(2Z)-2-(Ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}amino)-3-{[4-(1-methyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbox ylate [ACD/IUPAC Name]
(6R,7R)-7-({(2Z)-2-(Éthoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acétyl}amino)-3-{[4-(1-méthyl-4-pyridiniumyl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ène-2-carbox ylate [French] [ACD/IUPAC Name]
229016-73-3 [RN]
7P6FQA5D21
ceftarolina fosamilo [Spanish] [INN]
Ceftaroline fosamil [INN] [USAN] [Wiki]
céftaroline fosamil [French] [INN]
ceftarolinum fosamilum [Latin] [INN]
Pyridinium, 4-[2-[[(6R,7R)-2-carboxy-7-[[(2Z)-2-(ethoxyimino)-1-oxo-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]thio]-4-thiazolyl]-1-methyl-, inner salt [ACD/Index Name]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8827 [DBID]
PPI-0903 [DBID]
TAK 599 [DBID]
  • Miscellaneous

    • Safety:

      J01DI02 Wikidata Q409712

    • Chemical Class:

      A cephalosporin having [4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl and {(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}amino side groups located at positions 3 and 7 respectively. The N-phospho prodrug of ceftaroline, a broad-spectrum antibiotic active against methicillin-resistant Staphylococcus aureus (MRSA). It is used for the treatment of adults with acute b acterial skin and skin structure infections. ChEBI CHEBI:70718
      A cephalosporin that is the <element>N</element>-phospho prodrug of ceftaroline. A broad-spectrum antibiotic, it is active against methicillin-resistant <ital>Staphylococcus aureus</ital> (MRSA). It i s used for the treatment of adults with acute bacterial skin and skin structure infections. ChEBI CHEBI:70718

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -2.84
ACD/LogD (pH 5.5): -4.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 340 Å2
Polarizability:
Surface Tension:
Molar Volume:

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