BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1837
NameCODEINE PHOSPHATE
Pubchem ID24848030
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight921.91
Exact mass920.311742
Molecular formulaC44H59Cl2N4O9PS
XlogPN/A
Topological Polar Surface Area179
H-Bond Donor9
H-Bond Acceptor13
Rotational Bond Count7
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CNCC(C1=CC(=CC=C1)O)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)O.Cl.Cl
Isomeric SMILECC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CNC[C@H](C1=CC(=CC=C1)O)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)O.Cl.Cl
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