Cefoperazone

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Properties Simple | Detailed

Formula C25H27N9O8S2
IUPAC Name (6r,7r)-7-[[(2s)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 645.667 g·mol−1
Heat of Formation -742.2 ± 16.7 kJ·mol−1
Dipole Moment 8.89 ± 1.08 D
Volume 701.94 Å 3
Surface Area 580.39 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-[[(2s)-2-[(4-ethyl-2,3-diketo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2s)-2-[(4-ethyl-2,3-dioxo-piperazin-1-yl)carbonylamino]-2-(4-hydroxyphenyl)ethanoyl]amino]-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,7r)-7-[[(2s)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2s)-2-[[(4-ethyl-2,3-dioxo-1-piperazinyl)-oxomethyl]amino]-2-(4-hydroxyphenyl)-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
InChIKey GCFBRXLSHGKWDP-WJONJSRFSA-N
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