BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1841
NameCODEINE SULFATE
Pubchem ID23724875
KEGG IDD03580
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight782.94
Exact mass782.365961
Molecular formulaC38H58N2O13S
XlogPN/A
Topological Polar Surface Area162
H-Bond Donor7
H-Bond Acceptor15
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC.C.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.O.O.O.OS(=O)(=O)O
Isomeric SMILEC.C.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.O.O.OS(=O)(=O)O
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