BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2882
NameOxycodone terephthalate
Pubchem ID23724882
KEGG IDD03783
SourceN/A
TypeUnknown
FunctionAnalgesic
Drug Like PropertiesNo
Molecular Weight796.86
Exact mass796.320725
Molecular formulaC44H48N2O12
XlogPN/A
Topological Polar Surface Area193
H-Bond Donor4
H-Bond Acceptor14
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.CN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O
Isomeric SMILECN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1=CC(=CC=C1C(=O)O)C(=O)O
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