Cefazedone [Ban:Inn]

Molecule SVG Image

Properties Simple | Detailed

Formula C18H15Cl2N5O5S3
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 548.443 g·mol−1
Heat of Formation -356.0 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 561.86 Å 3
Surface Area 462.52 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.42 ± 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
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C Cl H O N S