Nafcillin

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Properties Simple | Detailed

Formula C21H22N2O5S
IUPAC Name (2s,5r,6r)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular Mass 414.475 g·mol−1
Heat of Formation -643.9 ± 16.7 kJ·mol−1
Dipole Moment 5.74 ± 1.08 D
Volume 469.65 Å 3
Surface Area 375.65 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -1.05 ± eV
Point Group Symmetry C1
Synonyms
  • (2-ethoxy-1-naphthyl)penicillin
  • (2s,5r,6r)-6-({[2-(ethyloxy)naphthalen-1-yl]carbonyl}amino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[(2-ethoxynaphthalen-1-yl)carbonylamino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[(2-ethoxynaphthalene-1-carbonyl)amino]-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • (2s,5r,6r)-6-[[(2-ethoxy-1-naphthyl)-oxomethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2-ethoxy-1-naphthalenyl)carbonyl)amino)-3,3-dimethyl-7-oxo-, (2s-(2alpha,5alpha,6beta))-
  • 4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(2-ethoxy-1-naphthamido)-3,3-dimethyl-7-oxo-
  • 4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2-ethoxy-1-naphthalenyl)carbonyl]amino]-3,3-dimethyl-7-oxo-, (2s,5r,6r)-
  • 985-16-0 (sodium)
  • bpbio1_000909
  • nafcilin-1
  • nafcillin & vrc3375
  • naphcillin
  • penicillin, (2-ethoxy-1-naphthalenyl)-
  • penicillin, (2-ethoxy-1-naphthyl)-
InChIKey GPXLMGHLHQJAGZ-JTDSTZFVSA-N
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