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Apoatropine

PubChem CID: 64695

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Compound Synonyms Apoatropine, Atropamine, C17H21NO2, Atropine - H2O, CHEBI:2780, SCHEMBL21940586, DTXSID70871704, Apoatropin, Apohyoscyamin, Apohyoscyamine, Atropamin, Atropamine, Atropyltropeine, Benzeneacetic acid, .alpha.-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, endo-, WPUIZWXOSDVQJU-UHFFFAOYSA-N, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate, FS-6665, IA181919, NS00043038, 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl atropate #, Q25099870, 1-.alpha.-H,5-.alpha.-H-Tropan-3-.alpha.-ol, atropate, 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 2-phenylprop-2-enoate, Propenoic acid, 2-phenyl-, 8-methyl-8-azabicyclo[3.2.1]octan-3-yl ester, Benzeneacetic acid, .alpha.-methylene-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl este, Benzeneacetic acid, a-methylene-,(3-endo)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
Prediction Swissadme 1.0
Topological Polar Surface Area 29.5
Hydrogen Bond Donor Count 0.0
Inchi Key WPUIZWXOSDVQJU-UHFFFAOYSA-N
Fcsp3 0.4705882352941176
Rotatable Bond Count 4.0
Heavy Atom Count 20.0
Compound Name Apoatropine
Prediction Hob Swissadme 1.0
Exact Mass 271.157
Formal Charge 0.0
Monoisotopic Mass 271.157
Isotope Atom Count 0.0
Molecular Complexity 372.0
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 271.35
Database Name cmaup_ingredients;npass_chem_all;pubchem
Covalent Unit Count 1.0
Defined Atom Stereocenter Count 0.0
Iupac Name (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Prediction Hob 1.0
Esol -3.7169319999999995
Inchi InChI=1S/C17H21NO2/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2/h3-7,14-16H,1,8-11H2,2H3
Smiles CN1C2CCC1CC(C2)OC(=O)C(=C)C3=CC=CC=C3
Xlogp 3.6
Defined Bond Stereocenter Count 0.0
Molecular Formula C17H21NO2

  • 1. Outgoing r'ship FOUND_IN to/from Abroma Radix (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Amaryllis Belladonna (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aristolochia Heterophylla (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Atista Radix (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Atropa Acuminata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Atropa Belladona (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Atropa Belladonna (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Codonopsis Radix (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Datura Alba (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Datura Arborea (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Datura Fastuosa (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Datura Ferox (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Datura Innoxia (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Datura Inoxia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 15. Outgoing r'ship FOUND_IN to/from Datura Metel (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Datura Quercifolia (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Datura Stramonium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Datura Tatula (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Datura Wrightii (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Dracocephalum Stramonium (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Echinopsis Radix (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Euphorbia Heterophylla (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Ficus Heterophylla (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Girardinia Heterophylla (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Helleborus Niger (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Hemerocallis Radix (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Hyoscyamus Albus (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Hyoscyamus Muticus (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Hyoscyamus Niger (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Hyoscyamus Perforatum (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Hyoscyamus Pusillus (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Hyoscyamus Reticulatus (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Lablab Niger (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Lasia Heterophylla (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Limnophila Heterophylla (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Maytenus Heterophylla (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Populus Heterophylla (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Pseudostellaria Heterophylla (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 39. Outgoing r'ship FOUND_IN to/from Solena Heterophylla (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Tabebuia Heterophylla (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Tsuga Heterophylla (Plant) Rel Props:Reference:
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