ChemSpider 2D Image | cefiderocol | C30H34ClN7O10S2

cefiderocol

  • Molecular FormulaC30H34ClN7O10S2
  • Average mass752.215 Da
  • Monoisotopic mass751.149719 Da
  • ChemSpider ID52084902

  • 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-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(1-{2-[(2-chlor-3,4-dihydroxybenzoyl)amino]ethyl}-1-pyrrolidiniumyl)methyl]-8-oxo-5-thia-1-azabicyclo [4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-3-[(1-{2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl}-1-pyrrolidiniumyl)methyl]-8-oxo-5-thia-1-azabicycl o[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6R,7R)-7-{[(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acétyl]amino}-3-[(1-{2-[(2-chloro-3,4-dihydroxybenzoyl)amino]éthyl}-1-pyrrolidiniumyl)méthyl]-8-oxo-5-thia-1-azabicycl o[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
1225208-94-5 [RN]
cefiderocol [INN]
cefiderocol [Spanish] [INN]
céfidérocol [French] [INN]
cefiderocolum [Latin] [INN]
Fetroja [Trade name]
Pyrrolidinium, 1-[[(6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-[(1-carboxy-1-methylethoxy)imino]-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-[2-[(2-chloro-3,4-di hydroxybenzoyl)amino]ethyl]-, inner salt [ACD/Index Name]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

10234 [DBID]
SZ34OMG6E8 [DBID]
UNII:SZ34OMG6E8 [DBID]
  • Miscellaneous

    • Chemical Class:

      A fourth-generation siderophore cephalosporin antibiotic having {1-[2-(2-chloro-3,4-dihydroxybenzamido)ethyl]pyrrolidinium-1-yl}methyl and [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl) oxy]imino}acetyl]amino side groups located at positions 3 and 7 respectively, developed to combat a variety of bacterial pathogens, including beta-lactam- and carbapenem-resistant organisms. ChEBI CHEBI:140376

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: 17
#H bond donors: 8
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -1.02
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 310 Å2
Polarizability:
Surface Tension:
Molar Volume:

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