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ScientificNameLabel
Aposcopolamine
PHCD compound ID : 1952
Chemical Names :
Aposcopolamine
Molecular Formula : C17H19N1O3
Molecular Weight : 285.136493
More Details :
Names & Synonyms:
Smiles: CN1[C@@H]2C[C@@H](C[C@H]1[C@H]1[C@@H]2O1)OC(=O)C(=C)c1ccccc1
InChi : InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12-,13+,14-,15+,16-
InChi Key : InChIKey=JJNVDCBKBUSUII-FRXHMLBDSA-N
PubChem ID : 4486617
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.023682
Hydrogen bond donor count : 0 Electric dipole moment : 1.640
XLogP : 2.092 VDW volume : 266.447509
Molecular weight : 285.136493 HOMO-LUMO gap : 8.600000
Herb list :
Refrences & Litretures:
  
231.      Journal:'Fitoterapia'      Year:'2006'      Volume:'77'      Page:'179'      DOI:'10.1016/j.fitote.2006.01.002'      Title:'Alkaloid patterns in some varieties of Datura stramonium'
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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