3-Carboxy-2-Quinoxalinylpenicillin

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Properties Simple | Detailed

Formula C18H16N4O6S
IUPAC Name (2s,5r,6r)-6-[(3-carboxyquinoxaline-2-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 416.408 g·mol−1
Heat of Formation -617.3 ± 16.7 kJ·mol−1
Dipole Moment 7.78 ± 1.08 D
Volume 444.03 Å 3
Surface Area 381.13 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -1.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-6-(3-carboxy-2-chinoxalinylcarboxamido)-3,3-dimethyl-7-oxo-4-thia-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • (3-carboxy-2-quinoxalinyl)penicillin
  • 3-[[(2s,5r,6r)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]carbamoyl]quinoxaline-2-carboxylic acid
  • 3-[[(2s,5r,6r)-2-carboxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]carbamoyl]quinoxaline-2-carboxylic acid
  • 3-[[[(2s,5r,6r)-2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl]amino]-oxomethyl]-2-quinoxalinecarboxylic acid
  • 3-carboxy-2-quinoxalinylpenicillanic acid
  • 6-(3-carboxy-2-chinoxalinecarboxamido)-3,3-dimethyl-7-oxo-4-thia-azabicyclo(3.2.0)heptan-2-carbonsaeure
  • 6-(3-carboxy-2-quinoxalinecarboxamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
  • quinacillin
  • quinacillin [ban:inn]
CAS Number(s)
  • 1596-63-0
InChIKey GPMSLJIYNWBYEL-TYNCELHUSA-N
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