2-(Diethylamino)Ethyl (2S,5R,6R)-6-(2,6-Dimethoxybenzamido)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]Heptane-2-Carboxylate

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Properties Simple | Detailed

Formula C23H33N3O6S
IUPAC Name 2-(diethylamino)ethyl (2s,5r,6r)-6-[(2,6-dimethoxybenzoyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Mass 479.590 g·mol−1
Heat of Formation -873.5 ± 16.7 kJ·mol−1
Dipole Moment 7.92 ± 1.08 D
Volume 584.05 Å 3
Surface Area 468.96 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-6-[(2,6-dimethoxybenzoyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-diethylaminoethyl ester
  • (2s,5r,6r)-6-[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-diethylaminoethyl ester
  • 2-(diethylamino)ethyl (2s,5r,6r)-6-(2,6-dimethoxybenzamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate
  • 2-diethylaminoethyl (2s,5r,6r)-6-[(2,6-dimethoxyphenyl)carbonylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • tamethicillin
  • tameticillin
CAS Number(s)
  • 56211-43-9
InChIKey HBOSVRMWGCNXAB-LVCYWYKZSA-N
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