Penicillin G 2-Diethylaminoethyl Ester

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Properties Simple | Detailed

Formula C22H31N3O4S
IUPAC Name 2-(diethylamino)ethyl (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular Mass 433.564 g·mol−1
Heat of Formation -579.6 ± 16.7 kJ·mol−1
Dipole Moment 7.60 ± 1.08 D
Volume 535.95 Å 3
Surface Area 401.68 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-diethylaminoethyl ester
  • (2s,5r,6r)-7-keto-3,3-dimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 2-diethylaminoethyl ester
  • 2-diethylaminoethyl (2s,5r,6r)-3,3-dimethyl-7-oxo-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • 2-diethylaminoethyl (2s,5r,6r)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6- (2-phenylacetamido)-, 2-(diethylamino)ethyl ester
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-, (2s-(2alpha,5alpha,6beta))-, 2-(diethylamino)ethyl ester-
  • benzylpenicillinic acid, compd. with diethylaminoethanol
  • diethylaminoethanol-benzylpenicillin
  • penethamate
  • penicillin g, 2-(diethylamino)ethyl ester (6ci,7ci)
InChIKey AFKRZUUZFWTBCC-WSTZPKSXSA-N
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