BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2880
NameOxycodone-acetaminophen
Pubchem ID6321309
KEGG IDD02153
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight502.99
Exact mass502.187064
Molecular formulaC26H31ClN2O6
XlogPN/A
Topological Polar Surface Area108
H-Bond Donor4
H-Bond Acceptor7
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)NC1=CC=C(C=C1)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.Cl
Isomeric SMILECC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.Cl
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