BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1061
Name6'-Iodo-dihydropapaverine hydrochloride
Pubchem ID51756
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight503.76
Exact mass503.036029
Molecular formulaC20H23ClINO4
XlogPN/A
Topological Polar Surface Area50.9
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count6
IUPAC Name1-[(2-iodo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinolin-2-ium chloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C(=C1)CC[NH+]=C2CC3=CC(=C(C=C3I)OC)OC)OC.[Cl-]
Isomeric SMILEN/A
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