Skip Navigation Links
ScientificNameLabel
Atropine
PHCD compound ID : 5683
Chemical Names :
Tropine tropate , Atropine , dl-hyoscyamine , dl-tropyl tropate , 1alphaH,5alphaH-tropan-3alpha-ol (+)-tropate
Molecular Formula : C17H23N1O3
Molecular Weight : 289.167794
More Details :
Names & Synonyms: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate , 3-hydroxy-2-phenylpropanoic acid [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester , [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate , [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate , [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate , 3-hydroxy-2-phenyl-propionic acid [(1S,5R)-8-methyl-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)N2C
InChi : InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1
InChi Key : InChIKey=RKUNBYITZUJHSG-QKPAOTATSA-N
PubChem ID : 174174
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.124098
Hydrogen bond donor count : 1 Electric dipole moment : 2.464
XLogP : 1.632 VDW volume : 281.440427
Molecular weight : 289.167794 HOMO-LUMO gap : 9.166000
Herb list :
Refrences & Litretures:
  
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'
959.      Journal:'Journal of Medicinal Plants Research'      Year:'2011'      Volume:'5'      Page:'6515'      DOI:'10.5897/JMPR11.482'      Title:'Tropane alkaloids of Atropa belladonna L. and Atropa acuminata Royle ex Miers plants'
960.      Journal:'Planta Med'      Year:'1986'      Volume:'52'      Page:'85'      DOI:'10.1055/s-2007-969086'      Title:'Tropane Alkaloids from Atropa belladonna; Part I. Capillary Gas Chromatographic Analysis'
961.      Journal:'Progress in Molecular Biology and Translational Science'      Year:'2012'      Volume:'112'      Page:'373'      DOI:'10.1016/B978-0-12-415813-9.00014-3'      Title:'Toxins and Venoms'
964.      Journal:'Adv. Nutr'      Year:'2011'      Volume:'2'      Page:'32'      DOI:'10.3945/an.110.000117'      Title:'Herbal Extracts and Phytochemicals: Plant Secondary Metabolites and the Enhancement of Human Brain Function'
965.      Journal:'Forensic Plant Science'      Year:'2016'      Volume:''      Page:'1'      DOI:'10.1016/B978-0-12-801475-2.00001-4'      Title:'Introduction to Forensic Plant Science'
966.      Journal:'Encyclopedia of Toxicology'      Year:'2014'      Volume:'3'      Page:'970'      DOI:'10.1016/B978-0-12-386454-3.00048-8'      Title:'Plants, Poisonous (Humans)'
967.      Journal:'Advances in Pharmacology'      Year:'2016'      Volume:'75'      Page:'325'      DOI:'10.1016/bs.apha.2016.01.001'      Title:'The Potential of Traditional Chinese Medicine in the Treatment and Modulation of Pain'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us