BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2148
NameEthaverine
Pubchem ID13796
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionSmooth muscle relaxant
Drug Like PropertiesNo
Molecular Weight431.95
Exact mass431.186336
Molecular formulaC24H30ClNO4
XlogPN/A
Topological Polar Surface Area51.1
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count10
IUPAC Name1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOC1=C(C=C(C=C1)CC2=[NH+]C=CC3=CC(=C(C=C32)OCC)OCC)OCC.[Cl-]
Isomeric SMILEN/A
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