Cefcapene

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Properties Simple | Detailed

Formula C17H19N5O6S2
IUPAC Name (6r,7r)-7-[[(z)-2-(2-aminothiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Molecular Mass 453.493 g·mol−1
Heat of Formation -707.3 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 491.27 Å 3
Surface Area 413.24 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,7r)-3-(aminocarbonyloxymethyl)-7-[[(z)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-((z)-2-(2-amino-4-thiazolyl)-2-pentenamido)-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, carbamate (ester)
  • (6r,7r)-7-[[(z)-2-(2-amino-4-thiazolyl)-1-oxopent-2-enyl]amino]-3-(carbamoyloxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(z)-2-(2-aminothiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  • (6r,7r)-7-[[(z)-2-(2-aminothiazol-4-yl)pent-2-enoyl]amino]-3-(carbamoyloxymethyl)-8-oxo-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, 3-(((aminocarbonyl)oxy)methyl)-7-((2-(2-amino-4-thiazolyl)-1-oxo-2-pentenyl)amino)-8-oxo-, (6r-(6alpha,7beta(z)))-
  • cefcapene pivoxil free acid
  • s 1006
CAS Number(s)
  • 135889-00-8
InChIKey HJJRIJDTIPFROI-NVKITGPLSA-N
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