Record No. 1 of 7

ID1034
Name2-fluoro-N-n-propylnorapomorphine
Pubchem ID131212
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionDopamine D2 agonist
Drug Like PropertiesNo
Molecular Weight394.28
Exact mass393.07397
Molecular formulaC19H21BrFNO2
XlogPN/A
Topological Polar Surface Area43.7
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCCN1CCC2=C3C1CC4=C(C3=CC(=C2)F)C(=C(C=C4)O)O.Br
Isomeric SMILECCCN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)F)C(=C(C=C4)O)O.Br
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Record No. 2 of 7

ID1037
Name2-methoxy-N-n-propylnorapomorphine
Pubchem ID130907
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionDopamine D2 agonist
Drug Like PropertiesYes
Molecular Weight325.40
Exact mass325.167794
Molecular formulaC20H23NO3
XlogP3.2
Topological Polar Surface Area52.9
H-Bond Donor2
H-Bond Acceptor4
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCCN1CCC2=C3C1CC4=C(C3=CC(=C2)OC)C(=C(C=C4)O)O
Isomeric SMILECCCN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)OC)C(=C(C=C4)O)O
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Record No. 3 of 7

ID1195
NameApomorphine
Pubchem ID107882
KEGG IDD02004
SourceDerivative of morphine
TypeUnknown
FunctionDopamine D2 agonist
Drug Like PropertiesNo
Molecular Weight625.58
Exact mass624.215778
Molecular formulaC34H38Cl2N2O5
XlogPN/A
Topological Polar Surface Area88.4
H-Bond Donor7
H-Bond Acceptor7
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O.CN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O.O.Cl.Cl
Isomeric SMILECN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O.CN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O.O.Cl.Cl
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Record No. 4 of 7

ID1196
NameApomorphine
Pubchem ID6005
KEGG IDD07460
SourceDerivative of morphine
TypeUnknown
FunctionDopamine D2 agonist
Drug Like PropertiesYes
Molecular Weight267.32
Exact mass267.125929
Molecular formulaC17H17NO2
XlogP2.3
Topological Polar Surface Area43.7
H-Bond Donor2
H-Bond Acceptor3
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O
Isomeric SMILECN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O
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Record No. 5 of 7

ID1197
NameApomorphine
Pubchem ID6931310
KEGG IDN/A
SourceDerivative of morphine
TypeUnknown
FunctionDopamine D2 agonist
Drug Like PropertiesYes
Molecular Weight268.33
Exact mass268.133754
Molecular formulaC17H18NO2+
XlogP2.3
Topological Polar Surface Area44.9
H-Bond Donor3
H-Bond Acceptor2
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[NH+]1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O
Isomeric SMILEC[NH+]1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)O)O
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Record No. 6 of 7

ID2815
NameN-Propylnorapomorphine HCl
Pubchem ID24195776
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionDopamine D2 agonist
Drug Like PropertiesNo
Molecular Weight331.84
Exact mass331.133907
Molecular formulaC19H22ClNO2
XlogPN/A
Topological Polar Surface Area43.7
H-Bond Donor3
H-Bond Acceptor3
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O.Cl
Isomeric SMILEN/A
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Record No. 7 of 7

ID3442
NameTrihydroxy propyl noraporphine
Pubchem ID173603
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionDopamine D2 agonist
Drug Like PropertiesNo
Molecular Weight392.29
Exact mass391.078306
Molecular formulaC19H22BrNO3
XlogPN/A
Topological Polar Surface Area63.9
H-Bond Donor3
H-Bond Acceptor4
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCCN1CCC2=C3C1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O.Br
Isomeric SMILEN/A
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