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Search term: JHFNIHVVXRKLEF-DCZLAGFPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Ceftolozane | C23H30N12O8S2

Ceftolozane

  • Molecular FormulaC23H30N12O8S2
  • Average mass666.690 Da
  • Monoisotopic mass666.175110 Da
  • ChemSpider ID25999973

  • 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)-3-[(5-Amino-4-{[(2-aminoethyl)carbamoyl]amino}-1-methyl-1H-pyrazol-2-ium-2-yl)methyl]-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-8-oxo-5-thia- 1-azabicyclo[4.2.0]oct-2-en-2-carboxylat [German] [ACD/IUPAC Name]
(6R,7R)-3-[(5-Amino-4-{[(2-aminoethyl)carbamoyl]amino}-1-methyl-1H-pyrazol-2-ium-2-yl)methyl]-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acetyl]amino}-8-oxo-5-thia- 1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate [ACD/IUPAC Name]
(6R,7R)-3-[(5-Amino-4-{[(2-aminoéthyl)carbamoyl]amino}-1-méthyl-1H-pyrazol-2-ium-2-yl)méthyl]-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(2-carboxy-2-propanyl)oxy]imino}acétyl]amino}-8-oxo-5-thia- 1-azabicyclo[4.2.0]oct-2-ène-2-carboxylate [French] [ACD/IUPAC Name]
1H-Pyrazolium, 5-amino-4-[[[(2-aminoethyl)amino]carbonyl]amino]-2-[[(6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[(1-carboxy-1-methylethoxy)imino]-1-oxoethyl]amino]-2-carboxy-8-oxo-5-thia-1-az abicyclo[4.2.0]oct-2-en-3-yl]methyl]-1-methyl-, inner salt [ACD/Index Name]
689293-68-3 [RN]
Ceftolozane [INN] [USAN] [Wiki]
Ceftolozane [French] [INN]
Ceftolozano [Spanish] [INN]
Ceftolozanum [Latin] [INN]
(6R,7R)-3-([3-Amino-4-(2-aminoethylcarbamoylamino)-2-methylpyrazol-1-ium-1-yl]methyl)-7-([(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

37A4IES95Q [DBID]
9426 [DBID]
CXA-101 [DBID]
UNII:37A4IES95Q [DBID]
UNII-37A4IES95Q [DBID]
  • Miscellaneous

    • Chemical Class:

      A fifth-generation cephalosporin antibiotic having (5-amino-4-{[(2-aminoethyl)carbamoyl]amino}-1-methyl-1H-pyrazol-2-ium-2-yl)methyl and [(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-{[(2-carboxypropan-2- yl)oxy]imino}acetyl]amino side groups located at positions 3 and 7 respectively; developed for the treatment of infections with gram-negative bacteria that have become resistant to conventional antibi otics. ChEBI CHEBI:134719

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: 20
#H bond donors: 11
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -6.17
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 356 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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