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ScientificNameLabel
Apoatropine
PHCD compound ID : 1965
Chemical Names :
Apoatropine
Molecular Formula : C17H21N1O2
Molecular Weight : 271.157229
More Details :
Names & Synonyms: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate , 2-phenyl-2-propenoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester , 2-phenylacrylic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
Smiles: CN1[C@@H]2CC[C@H]1C[C@@H](C2)OC(=O)C(=C)c1ccccc1
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/t14-,15+,16-
InChi Key : InChIKey=WPUIZWXOSDVQJU-MUJYYYPQSA-N
PubChem ID : 64695
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.786029
Hydrogen bond donor count : 0 Electric dipole moment : 2.276
XLogP : 3.134 VDW volume : 270.013741
Molecular weight : 271.157229 HOMO-LUMO gap : 8.463000
Herb list :
Refrences & Litretures:
  
232.      Journal:'Zeitschrift fur Naturforschung C'      Year:'2003'      Volume:'58'      Page:'42'      DOI:''      Title:'Alkaloid Spectrum in Diploid and Tetraploid Hairy Root Cultures of Datura stramonium'
618.      Journal:'Chemistry of Natural Compounds'      Year:'2012'      Volume:'48'      Page:'506'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OIL OF Urtica dioica'
958.      Journal:'International Journal of Scientific & Engineering Research'      Year:'2019'      Volume:'10'      Page:'589'      DOI:''      Title:'Ethnopharmacological Investigations of Phytochemical Constituents Isolated from the Genus Atropa'
962.      Journal:'The european agency for the evaluation of medicinal products'      Year:'1998'      Volume:''      Page:''      DOI:''      Title:'committee for veterinary medicinal products ATROPA BELLADONNA'
963.      Journal:'Electrophoresis'      Year:'2008'      Volume:'29'      Page:'2112'      DOI:'10.1002/elps.200700468'      Title:'Characterization of Atropa belladonna L. compounds by capillary electrophoresis-electrospray onization-time of flight-mass spectrometry and capillary electrophoresis-electrospray ionization-ion trap-mass spectrometry'
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