(6R,7R)-3-[(4-Carbamoyl-1-Pyridiniumyl)Methyl]-8-Oxo-7-[(2-Thienylacetyl)Amino]-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C20H19N4O5S2+
IUPAC Name (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 459.519 g·mol−1
Heat of Formation -271.1 ± 16.7 kJ·mol−1
Dipole Moment 17.13 ± 1.08 D
Volume 499.21 Å 3
Surface Area 423.54 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -2.36 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-3-(4-(4-carbamoyl-1-pyridiniomethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2-carboxylat
  • (6r,7r)-3-[(4-aminocarbonylpyridin-1-ium-1-yl)methyl]-8-oxo-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[[1-oxo-2-(2-thienyl)ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • 3-(4-carbamoylpyridylmethyl)-8-oxo-7-(a-(thien-2-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • 3-(4-carbamoylpyridylmethyl)-8-oxo-7-(alpha-(thien-2-yl)acetamido)-5-thia-1-azabicyclo(4.2.0)oct-2-en-2carbonsaeure
  • 7-(alpha-thienylacetamido)-3-(4-carbamoylpyridinomethyl)-3-cephem-4-carboxylic acid
  • cefalonium
  • cefalonum
  • cephalonium
  • lilly 41071
  • pyridinium, 4-carbamoyl-1-((2-carboxy-8-oxo-7-(2-(2-thienyl)acetamido)-5-thia-1-aza-bicyclo(4.2.0)oct-2-en-3-yl)methyl)- hydroxide, inner salt
CAS Number(s)
  • 5575-21-3
InChIKey FMZXNVLFJHCSAF-DNVCBOLYSA-N
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