Chemical Properties of Ecgonine (CAS 481-37-8)

Ecgonine

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InChI
InChI=1S/C9H15NO3/c1-10-5-2-3-6(10)8(9(12)13)7(11)4-5/h5-8,11H,2-4H2,1H3,(H,12,13)/t5?,6?,7-,8+/m0/s1
InChI Key
PHMBVCPLDPDESM-RLXKETGRSA-N
Formula
C9H15NO3
SMILES
CN1C2CCC1C(C(=O)O)C(O)C2
Molecular Weight1
185.22
CAS
481-37-8
Other Names
  • 1«alpha»H,5«alpha»H-Tropane-2«beta»-carboxylic acid, 3«beta»-hydroxy-
  • 1«alpha»H,5«alpha»H-Tropane-2«beta»-carboxylic acid, 3«beta»-hydroxy-
  • 3«beta»-Hydroxy-2«beta»-tropanecarboxylic acid
  • 3«beta»-Hydroxy-2«beta»-tropanecarboxylic acid
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, (2-endo,3-exo)-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-hydroxy-8-methyl-, [1R-(exo,exo)]-
  • Ekgonin
  • L-ecgonine
  • [1R*-(Exo,exo)]-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
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Physical Properties

Property Value Unit Source
log10WS -0.02 Aq. Sol...
logPoct/wat -0.085 Crippen Calculated Property
McVol 139.240 ml/mol McGowan Calculated Property

Similar Compounds

Methyl ecgonine. Ecgonine ethyl ester. Benzoylecgonine. Ecgonine, trimethylsilyl ether, trimethylsilyl ester. Ecgonine methyl ester, trimethylsilyl ether. Cocaine. Allococaine. Pseudococaine. Ecgonine ethyl ester, trimethylsilyl ether. Propionylecgonine methyl ester. Benzoylecgonine-TMS. Cinnamoylcocaine. m-Hydroxycocaine. 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, [1R-(exo,exo)]-. Diphenyl-(3-hydroxy-2-tropanyl)-carbinol.

Find more compounds similar to Ecgonine.

Sources

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