BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2908
NamePapaverine codecarboxylate
Pubchem ID83869
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight586.53
Exact mass586.171632
Molecular formulaC28H31N2O10P
XlogPN/A
Topological Polar Surface Area167
H-Bond Donor3
H-Bond Acceptor12
Rotational Bond Count10
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC1=NC=C(C(=C1O)C=O)COP(=O)(O)O.COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC
Isomeric SMILEN/A
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