Ecgonine

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Properties Simple | Detailed

Formula C9H15NO3
IUPAC Name (1s,3s,4r,5r,8s)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid
Molecular Mass 185.220 g·mol−1
Heat of Formation -607.0 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 221.67 Å 3
Surface Area 197.71 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 0.73 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-ecgonine
  • (1r,2r,3s,5s)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
  • 1-ecgonine
  • 1alphah,5alphah-tropane-2beta-carboxylic acid, 3-beta-hydroxy-
  • 1alphah,5alphah-tropane-2beta-carboxylic acid, 3beta-hydroxy- (8ci)
  • 3beta-hydroxy-1alphah,-5alphah-tropane-2beta-carboxylic acid
  • 3beta-hydroxy-2beta-tropanecarboxylic acid
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-methyl-, (1r,2r,3s,5s)-
  • 8-azabicyclo(3.2.1)octane-2-carboxylic acid, 3-hydroxy-8-methyl-, (1r-(exo,exo))-
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, (1r,2r,3s,5s)-
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, [1r-(exo,exo)]-
  • [1r-(exo,exo)]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
  • cocaine precusor in coca leaves
  • ecgonine (6ci,7ci)
  • ekgonin
  • l-ecgonine
InChIKey PHMBVCPLDPDESM-FKSUSPILSA-N
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