Cefbuperazone

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Properties Simple | Detailed

Formula C22H29N9O9S2
IUPAC Name (6r,7s)-7-[[(2r,3s)-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 -1030.7 ± 16.7 kJ·mol−1
Dipole Moment 5.36 ± 1.08 D
Volume 688.16 Å 3
Surface Area 561.28 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7s)-7-[[(2r,3s)-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-[[(2r,3s)-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-[[(2r,3s)-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-[[(2r,3s)-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
  • cefbuperazone (usan)
  • d03423
InChIKey SMSRCGPDNDCXFR-CYWZMYCQSA-N
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