Cefazedone [Ban:Inn]

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Properties Simple | Detailed

Formula C17H18Cl2N5O5S3+
IUPAC Name (6r,7r)-7-[[2-(3,5-dichloro-4-oxo-piperidin-1-ium-1-yl)acetyl]amino]-8-oxo-3-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 539.456 g·mol−1
Heat of Formation -348.5 ± 16.7 kJ·mol−1
Dipole Moment 12.69 ± 1.08 D
Volume 559.25 Å 3
Surface Area 480.93 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-(2-(3,5-dichloro-4-oxo-1(4h)-pyridyl)acetamido)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)-oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[2-(3,5-dichloro-4-oxo-pyridin-1-yl)ethanoylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-(3,5-dichloro-4-keto-1-pyridyl)acetyl]amino]-8-keto-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-(3,5-dichloro-4-oxo-1-pyridyl)-1-oxoethyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-(3,5-dichloro-4-oxo-1-pyridyl)acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[2-(3,5-dichloro-4-oxopyridin-1-yl)acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r-trans)7-(((3,5-dichloro-4-oxo-1(4h)-pyridinyl)acetyl)amino)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oxy-2-ene-2-carbox ylic acid
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((3,5-dichloro-4-oxo-1(4h)-pyridinyl)acetyl)amino)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-, (6r-trans)-
  • 63521-15-3 (sodium salt)
  • 7-(((3,5-dichloro-4-oxo-1(4h)-pyridinyl)acetyl)amino)-3-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • cefazedone
  • cefazedone (*sodium salt*)
  • refosporene
  • refosporin (*sodium salt*)
  • {5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic} acid, {7-[[(3,} {5-dichloro-4-oxo-1(4h)-pyridinyl)acetyl]amino]-3-[[(5-methyl-1,3,} 4-thiadiazol-2-yl)thio]methyl]-8-oxo-, monosodium salt, (6r-trans)-
InChIKey VTLCNEGVSVJLDN-MLGOLLRUSA-N
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