Record No. 1 of 2

ID2502
NameL-CSLMS
Pubchem ID6918538
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionDopamine D2 antagonist
Drug Like PropertiesNo
Molecular Weight457.93
Exact mass457.096201
Molecular formulaC20H24ClNO7S
XlogPN/A
Topological Polar Surface Area117
H-Bond Donor3
H-Bond Acceptor8
Rotational Bond Count2
IUPAC Name(13aS)-12-chloro-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol; methanesulfonic acid
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=CC(=C2CC3C4=CC(=C(C=C4CCN3CC2=C1O)OC)O)Cl.CS(=O)(=O)O
Isomeric SMILECOC1=CC(=C2C[C@H]3C4=CC(=C(C=C4CCN3CC2=C1O)OC)O)Cl.CS(=O)(=O)O
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Record No. 2 of 2

ID3266
NameStepholidine
Pubchem ID5290
KEGG IDN/A
SourcePapaver somniferum
TypeNatural
FunctionDopamine D2 antagonist
Drug Like PropertiesYes
Molecular Weight327.37
Exact mass327.147058
Molecular formulaC19H21NO4
XlogP2.6
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count2
IUPAC Name3,9-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,10-diol
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C3CC4=C(CN3CCC2=C1)C(=C(C=C4)O)OC)O
Isomeric SMILEN/A
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