BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1199
NameApomorphine diacetate
Pubchem ID29233
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight351.40
Exact mass351.147058
Molecular formulaC21H21NO4
XlogP2.5
Topological Polar Surface Area55.8
H-Bond Donor0
H-Bond Acceptor5
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)OC1=C(C2=C(CC3C4=C2C=CC=C4CCN3C)C=C1)OC(=O)C
Isomeric SMILECC(=O)OC1=C(C2=C(C[C@H]3C4=C2C=CC=C4CCN3C)C=C1)OC(=O)C
Drugpediawiki
References1. Source  
2. Function  
3. All Records