(6R,7S)-7-({N-[(4-Ethyl-2,3-Dioxo-1-Piperazinyl)Carbonyl]-L-Threonyl}Amino)-7-Methoxy-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid

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Properties Simple | Detailed

Formula C22H29N9O9S2
IUPAC Name (6r,7s)-7-[[(2s,3r)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-3-hydroxy-butanoyl]amino]-7-methoxy-3-[(1-methyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 627.651 g·mol−1
Heat of Formation -1016.7 ± 16.7 kJ·mol−1
Dipole Moment 12.07 ± 1.08 D
Volume 682.61 Å 3
Surface Area 562.26 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7s)-7-((2r,3s)-2-(4-ethyl-2,3-dioxo-1-piperazinecarboxamido)-3-hydroxybutyramido)-7-methoxy-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2s,3r)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-3-hydroxy-butanoyl]amino]-8-keto-7-methoxy-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2s,3r)-2-[(4-ethyl-2,3-dioxo-piperazin-1-yl)carbonylamino]-3-hydroxy-butanoyl]amino]-7-methoxy-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2s,3r)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-3-hydroxy-butanoyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7s)-7-[[(2s,3r)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-3-hydroxy-1-oxobutyl]amino]-7-methoxy-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((2-(((4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl)amino)-3-hydroxy-1-oxobutyl)amino)-7-methoxy-3-(((1-methyl-1h-tetrazol-5-yl)thio)methyl)-8-oxo-, (6r-(6alpha,7alpha,7(2r*,3s*)))-
  • bmy 25182
  • cefbuperazona [spanish]
  • cefbuperazone
  • cefbuperazonum [latin]
  • cefbuperzaone
CAS Number(s)
  • 76610-84-9
InChIKey SMSRCGPDNDCXFR-XFCORVATSA-N
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