BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2292
NameHydrocodone
Pubchem ID5463977
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionAntitussive
Drug Like PropertiesNo
Molecular Weight449.45
Exact mass449.168581
Molecular formulaC22H27NO9
XlogPN/A
Topological Polar Surface Area154
H-Bond Donor4
H-Bond Acceptor10
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4.C(C(C(=O)O)O)(C(=O)O)O
Isomeric SMILECN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(=O)CC4.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
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