Record No. 1 of 2

ID1188
NameApocodeine
Pubchem ID12545
KEGG IDN/A
SourceMonomethyl ether of apomorphine
TypeUnknown
FunctionHypnotic and cathartic
Drug Like PropertiesYes
Molecular Weight281.35
Exact mass281.141579
Molecular formulaC18H19NO2
XlogP2.6
Topological Polar Surface Area32.7
H-Bond Donor1
H-Bond Acceptor3
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)OC)O
Isomeric SMILECN1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)OC)O
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Record No. 2 of 2

ID1190
NameApocodeine hydrochloride
Pubchem ID22872
KEGG IDN/A
SourceMonomethyl ether of apomorphine
TypeUnknown
FunctionHypnotic and cathartic
Drug Like PropertiesNo
Molecular Weight317.81
Exact mass317.118257
Molecular formulaC18H20ClNO2
XlogPN/A
Topological Polar Surface Area33.9
H-Bond Donor2
H-Bond Acceptor3
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[NH+]1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)OC)O.[Cl-]
Isomeric SMILEC[NH+]1CCC2=CC=CC3=C2[C@H]1CC4=C3C(=C(C=C4)OC)O.[Cl-]
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References1. Source  
2. Function  
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