Record No. 1 of 3

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. 2 of 3

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. 3 of 3

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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References1. Source  
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