Ceftiolene

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Formula C20H18N8O8S3
IUPAC Name (6r,7r)-7-[[(2z)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(e)-2-[[5,6-dioxo-4-(2-oxoethyl)-1h-1,2,4-triazin-3-yl]sulfanyl]vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 594.601 g·mol−1
Heat of Formation -442.2 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 620.27 Å 3
Surface Area 533.67 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-7-(2-(2-amino-4-thiazolyl)glyoxylamido)-3-((e)-2-((4-(formylmethyl)-1,4,5,6-tetrahydro-5,6-dioxo-as-triazin-3-yl)thio)vinyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid 7(sup 2)-(z)-(o-methyloxime)
  • (6r,7r)-7-[[(2z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[(e)-2-[[5,6-dioxo-4-(2-oxoethyl)-1h-1,2,4-triazin-3-yl]sulfanyl]ethenyl]-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-[(e)-2-[[5,6-dioxo-4-(2-oxoethyl)-1h-1,2,4-triazin-3-yl]thio]vinyl]-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-[(e)-2-[[5,6-diketo-4-(2-ketoethyl)-1h-1,2,4-triazin-3-yl]thio]vinyl]-8-keto-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-[(e)-2-[[5,6-dioxo-4-(2-oxoethyl)-1h-1,2,4-triazin-3-yl]sulfanyl]vinyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • cefatiolene
  • ceftiolenum [latin]
  • rp-42980
CAS Number(s)
  • 77360-52-2
InChIKey WJXAHFZIHLTPFR-JLRJEBFFSA-N
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