Record No. 1 of 3

ID2057
NameDrotaverin
Pubchem ID1712095
KEGG IDD07088
SourceHungarian drug
TypeNatural
FunctionAnalgesic
Drug Like PropertiesNo
Molecular Weight397.51
Exact mass397.225308
Molecular formulaC24H31NO4
XlogP5.4
Topological Polar Surface Area49
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count9
IUPAC Name(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC
Isomeric SMILECCOC1=C(C=C(C=C1)/C=C2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC
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Record No. 2 of 3

ID2058
NameDrotaverin
Pubchem ID1712095
KEGG IDD07088
SourceHungarian drug
TypeNatural
FunctionVasodilator
Drug Like PropertiesNo
Molecular Weight397.51
Exact mass397.225308
Molecular formulaC24H31NO4
XlogP5.4
Topological Polar Surface Area49
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count9
IUPAC Name(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC
Isomeric SMILECCOC1=C(C=C(C=C1)/C=C2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC
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Record No. 3 of 3

ID2059
NameDrotaverin
Pubchem ID6437861
KEGG IDN/A
SourceHungarian drug
TypeNatural
FunctionSpasmolytic
Drug Like PropertiesNo
Molecular Weight433.97
Exact mass433.201986
Molecular formulaC24H32ClNO4
XlogPN/A
Topological Polar Surface Area49
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count9
IUPAC Name(1Z)-1-[(3,4-diethoxyphenyl)methylidene]-6,7-diethoxy-3,4-dihydro-2H-isoquinoline hydrochloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCOC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl
Isomeric SMILECCOC1=C(C=C(C=C1)/C=C2/C3=CC(=C(C=C3CCN2)OCC)OCC)OCC.Cl
Drugpediawiki
References1. Source  
2. Function  
3. All Records