Delcaine

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Properties Simple | Detailed

Formula C17H21NO4
IUPAC Name methyl (1s,3s,4s,5r,8s)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 303.353 g·mol−1
Heat of Formation -622.6 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 368.38 Å 3
Surface Area 318.89 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-pseudococaine
  • (1r,2s,3s,5s)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • (1r,2s,3s,5s)-8-methyl-3-(oxo-phenylmethoxy)-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester
  • (r)-pseudococaine
  • 1alphah,5alphah-tropane-2alpha-carboxylic acid, 3beta-hydroxy-, methyl ester, benzoate (ester) (8ci)
  • 2alpha-carbomethoxy-3beta-benzoyloxytropane
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1r-(2-endo,3-exo))-
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, (1r,2s,3s,5s)-
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, methyl ester, [1r-(2-endo,3-exo)]-
  • d-phi-cocaine
  • d-pseudococaine
  • depsococaine
  • dextrocaine
  • isococain
  • isococaine
  • methyl (1r,2s,3s,5s)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • methyl (1r,2s,3s,5s)-8-methyl-3-phenylcarbonyloxy-8-azabicyclo[3.2.1]octane-2-carboxylate
  • pseudococaine
  • pseudococaine (6ci,7ci)
  • pseudococaine, (+)
CAS Number(s)
  • 478-73-9
InChIKey ZPUCINDJVBIVPJ-XGUBFFRZSA-N
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