BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1041
Name3,4-Dihydropapaverine oxalate
Pubchem ID234847
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight431.44
Exact mass431.158017
Molecular formulaC22H25NO8
XlogPN/A
Topological Polar Surface Area124
H-Bond Donor2
H-Bond Acceptor9
Rotational Bond Count7
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline;oxalic acid
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC)OC.C(=O)(C(=O)O)O
Isomeric SMILEN/A
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