BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3456
NameTylenol w/codeine
Pubchem ID6321307
KEGG IDD02146
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight963.90
Exact mass963.331971
Molecular formulaC44H59N3O17P2
XlogPN/A
Topological Polar Surface Area290
H-Bond Donor11
H-Bond Acceptor19
Rotational Bond Count3
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(=O)NC1=CC=C(C=C1)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.O.OP(=O)(O)O.OP(=O)(O)O
Isomeric SMILECC(=O)NC1=CC=C(C=C1)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O.OP(=O)(O)O.OP(=O)(O)O
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