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ScientificNameLabel
atropamine
PHCD compound ID : 5687
Chemical Names :
atropamine
Molecular Formula : C17H22Br1N1O2
Molecular Weight : 271.157229
More Details :
Names & Synonyms: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylprop-2-enoate;hydrobromide , 2-phenyl-2-propenoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester;hydrobromide , 2-phenylacrylic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester;hydrobromide
Smiles: CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(=C)c1ccccc1.Br
InChi : InChI=1S/C17H21NO2.BrH/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;1H/t14-,15+,16+;
InChi Key : InChIKey=RGBJCVJKJXNXCX-CNKDKAJDSA-N
PubChem ID : 23624053
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.095021
Hydrogen bond donor count : 0 Electric dipole moment : 1.653
XLogP : 3.134 VDW volume : 270.013741
Molecular weight : 271.157229 HOMO-LUMO gap : 8.604000
Herb list :
Refrences & Litretures:
  
962.      Journal:'The european agency for the evaluation of medicinal products'      Year:'1998'      Volume:''      Page:''      DOI:''      Title:'committee for veterinary medicinal products ATROPA BELLADONNA'
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