(6S,7S)-7-{[(2E)-2-(2-Amino-5-Chloro-1,3-Thiazol-4-Yl)-2-(Methoxyimino)Acetyl]Amino}-3-(2H-Imidazo[1,5-A]Pyridin-4-Ium-2-Ylmethyl)-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylate

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Properties Simple | Detailed

Formula C21H25ClN7O5S2
IUPAC Name (6s,7s)-7-[[(2e)-2-(5-chloro-2-λ1-azanyl-thiazol-3-ium-5-id-4-yl)-2-methoxyimino-acetyl]amino]-3-(5,8-dihydro-3h-imidazo[1,5-a]pyridine-3,5,8-triid-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Molecular Mass 555.050 g·mol−1
Heat of Formation 50.3 ± 16.7 kJ·mol−1
Dipole Moment 13.44 ± 1.08 D
Volume 587.31 Å 3
Surface Area 463.19 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -1.63 ± eV
Point Group Symmetry C1
Synonyms
  • (6s,7s)-7-[[(2e)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-(imidazo[3,4-a]pyridin-4-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6s,7s)-7-[[(2e)-2-(2-amino-5-chloro-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(imidazo[3,4-a]pyridin-4-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6s,7s)-7-[[(2e)-2-(2-amino-5-chloro-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-(2-imidazo[3,4-a]pyridin-4-iumylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6s,7s)-7-[[(2e)-2-(2-amino-5-chloro-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(imidazo[3,4-a]pyridin-4-ium-2-ylmethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • (6s,7s)-7-[[(2e)-2-(2-amino-5-chloro-thiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-(imidazo[3,4-a]pyridin-4-ium-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  • 7-(2-(2-amino-5-chlorothiazol-4-yl)-2-methoxyiminoacetamido)-3-(imidazo(1,5-a)-pyridinium-1-yl)methyl-3-cephem-4-carboxylate
  • 7-cmicc
  • imidazo(1,5-a)pyridinium, 2-((7-(((2-amino-5-chloro-4-thiazolyl)(methoxyimino)acetyl)amino)-2-carboxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-en-3-yl)methyl)-, hydroxide, inner salt, (6r-(6alpha,7beta(z)))-
CAS Number(s)
  • 141912-84-7
InChIKey MGLLCPSQOKQEAM-PNJTVJIISA-N
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