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ScientificNameLabel
Norhyoscyamine
PHCD compound ID : 5689
Chemical Names :
Norhyoscyamine
Molecular Formula : C16H21N1O3
Molecular Weight : 275.152144
More Details :
Names & Synonyms: 8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenyl-propanoate , (2S)-3-hydroxy-2-phenylpropanoic acid 8-azabicyclo[3.2.1]octan-3-yl ester , 8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate , 8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate , 8-azabicyclo[3.2.1]octan-3-yl (2S)-3-oxidanyl-2-phenyl-propanoate , (2S)-3-hydroxy-2-phenyl-propionic acid 8-azabicyclo[3.2.1]octan-3-yl ester
Smiles: OC[C@H](c1ccccc1)C(=O)O[C@@H]1C[C@H]2CC[C@@H](C1)N2
InChi : InChI=1S/C16H21NO3/c18-10-15(11-4-2-1-3-5-11)16(19)20-14-8-12-6-7-13(9-14)17-12/h1-5,12-15,17-18H,6-10H2/t12-,13+,14-,15-/m1/s1
InChi Key : InChIKey=ATKYNAZQGVYHIB-LXTVHRRPSA-N
PubChem ID : 64696
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.296360
Hydrogen bond donor count : 2 Electric dipole moment : 1.657
XLogP : 1.393 VDW volume : 264.144442
Molecular weight : 275.152144 HOMO-LUMO gap : 9.267000
Herb list :
Refrences & Litretures:
  
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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