BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3377
NameTetrandrine dimethiodide
Pubchem ID211155
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight906.63
Exact mass906.160173
Molecular formulaC40H48I2N2O6
XlogPN/A
Topological Polar Surface Area55.4
H-Bond Donor0
H-Bond Acceptor8
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CC[N+]6(C)C)OC)OC)OC)OC)C.[I-].[I-]
Isomeric SMILEC[N+]1(CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CC[N+]6(C)C)OC)OC)OC)OC)C.[I-].[I-]
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