BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1829
NameCodeine-d3 solution
Pubchem ID16217585
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight302.38
Exact mass302.170974
Molecular formulaC18H21NO3
XlogP1.1
Topological Polar Surface Area41.9
H-Bond Donor1
H-Bond Acceptor4
Rotational Bond Count1
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O
Isomeric SMILE[2H]C([2H])([2H])N1CC[C@]23[C@@H]4[C@H](C=CC2[C@H]1CC5=C3C(=C(C=C5)OC)O4)O
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