Cefozopran

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Properties Simple | Detailed

Formula C19H19N9O5S2
IUPAC Name (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[2,3-f]pyridazin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 517.541 g·mol−1
Heat of Formation 245.3 ± 16.7 kJ·mol−1
Dipole Moment 15.14 ± 1.08 D
Volume 540.53 Å 3
Surface Area 450.12 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-1-(((6r,7r)-7-(2-(5-amino-1,2,4-thiadiazol-3-yl)glyoxylamido)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-1h-imidazo(1,2-b)pyridazin-4-ium hydroxide inner salt, 7(sup 2)-(z)-(o-methyloxime)
  • (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-1-oxoethyl]amino]-3-(1-imidazo[2,3-f]pyridazin-4-iumylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-acetyl]amino]-3-(imidazo[2,3-f]pyridazin-4-ium-1-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-acetyl]amino]-3-(imidazo[2,3-f]pyridazin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6r,7r)-7-[[(2z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-methoxyimino-ethanoyl]amino]-3-(imidazo[2,3-f]pyridazin-4-ium-1-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • cefozopran (inn)
  • d01052
  • imidazo(1,2-b)pyridazinium, 1-((6r,7r)-7-(((2z)-(5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt
  • imidazo(1,2-b)pyridazinium, 1-((7-(((5-amino-1,2,4-thiadiazol-3-yl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, inner salt, (6r-(6alpha,7beta(z)))-
  • sce 2787
CAS Number(s)
  • 113359-04-9
  • 123572-82-7
  • 125882-76-0
  • 128007-70-5
  • 133790-04-2
InChIKey QDUIJCOKQCCXQY-WHJQOFBOSA-N
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