Biapenem

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Formula C15H19N4O4S
IUPAC Name (4r,5s,6s)-3-(1,5-diaza-3-azoniabicyclo[3.3.0]octa-2,3-dien-7-ylsulfanyl)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
Molecular Mass 351.401 g·mol−1
Heat of Formation -175.7 ± 16.7 kJ·mol−1
Dipole Moment 8.07 ± 1.08 D
Volume 397.63 Å 3
Surface Area 327.13 Å 2
HOMO Energy -8.24 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s,6s)-3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-6-[(1r)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  • (4r,5s,6s)-3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-8-ium-6-ylthio)-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  • (4r,5s,6s)-3-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-8-ium-6-ylthio)-6-(1-hydroxyethyl)-7-keto-4-methyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
  • (6s)-2-(6,7-dihydro-5h-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-6-[(1r)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylate
  • 5h-pyrazolo(1,2-a)(1,2,4)triazol-4-ium, 6-((2-carboxy-6-(1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-6,7-dihydro-, hydroxide, inner salt, (4r-(4alpha,5beta,6beta(r*)))-
  • 6-(((4r,5s,6s)-2-carboxy-6-((1r)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-en-3-yl)thio)-6,7-dihydro-5h-pyrazolo(1,2-a)-s-triazol-4-ium hydroxide, inner salt
  • biapenem (jan/usan/inn)
  • cl 186,815
  • d01057
  • l 627
  • lj c10,627
  • omegacin
CAS Number(s)
  • 120410-24-4
InChIKey MRMBZHPJVKCOMA-YJFSRANCSA-N
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