Skip Navigation Links
ScientificNameLabel
Codeine
PHCD compound ID : 3563
Chemical Names :
Codeine
Molecular Formula : C18H21N1O3
Molecular Weight : 299.152144
More Details :
Names & Synonyms: (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol
Smiles: COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@H]4C=C[C@@H]1O)C
InChi : InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-/m0/s1
InChi Key : InChIKey=OROGSEYTTFOCAN-DNJOTXNNSA-N
PubChem ID : 5284371
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.391141
Hydrogen bond donor count : 1 Electric dipole moment : 4.320
XLogP : 0.433 VDW volume : 274.023494
Molecular weight : 299.152144 HOMO-LUMO gap : 8.574000
Herb list :
Refrences & Litretures:
  
501.      Journal:'Journal of Medicinal Plants'      Year:'2015'      Volume:'14'      Page:'6'      DOI:''      Title:'A Systematic Review on Main Chemical Constituents of Papaver bracteatum'
502.      Journal:'Journal of Ethnopharmacology'      Year:'1981'      Volume:'3'      Page:'21'      DOI:''      Title:'BIOLOGICAL ACTIVITY OF THE ALKALOIDS OF PAPAVER BRACTEATUM LINDL'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us