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ScientificNameLabel
Thebainemethochloride
PHCD compound ID : 3570
Chemical Names :
Thebainemethochloride
Molecular Formula : C20H24Cl1N1O3
Molecular Weight : 326.175619
More Details :
Names & Synonyms: (4R,7aR,12bS)-7,9-dimethoxy-3,3-dimethyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-3-ium;chloride
Smiles: COC1=CC=C2[C@@]34[C@H]1Oc1c4c(C[C@H]2[N+](CC3)(C)C)ccc1OC.[Cl-]
InChi : InChI=1S/C20H24NO3.ClH/c1-21(2)10-9-20-13-6-8-16(23-4)19(20)24-18-15(22-3)7-5-12(17(18)20)11-14(13)21;/h5-8,14,19H,9-11H2,1-4H3;1H/q+1;/p-1/t14-,19+,20+;/m1./s1
InChi Key : InChIKey=KZHLNSUUYZYMDI-FWLUWMMTSA-M
PubChem ID : 20056347
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.253742
Hydrogen bond donor count : 0 Electric dipole moment : 12.101
XLogP : 1.073 VDW volume : 307.297234
Molecular weight : 326.175619 HOMO-LUMO gap : 7.644000
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'
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