Ceftiofur

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Properties Simple | Detailed

Formula C19H18N5O7S3
IUPAC Name (6r,7r)-3-(3h-furan-1-ium-3-ide-5-carbonylsulfanylmethyl)-7-[[(2z)-2-(2-λ1-azanyl-5h-thiazol-3-ium-5-id-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 524.571 g·mol−1
Heat of Formation -460.3 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 556.8 Å 3
Surface Area 452.39 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-(2-(2-amino-4-thiazolyl)glyoxylamido)-3-(mercaptomethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7(sup 2)-(z)-(o-methyloxime), 2-furoate (ester)
  • (6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(furan-2-ylcarbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(2-furyl-oxomethyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(furan-2-carbonylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(furan-2-carbonylthio)methyl]-8-keto-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-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, (6r-(6alpha,7beta(z)))-
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo, monohydrochloride, (6r,7r)
  • 5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2z)-(2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-(((2-furanylcarbonyl)thio)methyl)-8-oxo-, (6r,7r)-
  • ceftiofurum [latin]
  • excenel
  • u 64279a
  • u 67279a
InChIKey ZBHXIWJRIFEVQY-IHMPYVIRSA-N
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