BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1057
Name6'-bromodihydropapaverine
Pubchem ID43029
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight420.30
Exact mass419.073221
Molecular formulaC20H22BrNO4
XlogP3.8
Topological Polar Surface Area49.3
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count6
IUPAC Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3Br)OC)OC)OC
Isomeric SMILEN/A
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