BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1653
NameButorphanol
Pubchem ID5361092
KEGG IDD03197
SourceSynthetic
TypeUnknown
FunctionAnalgesic
Drug Like PropertiesYes
Molecular Weight327.46
Exact mass327.219829
Molecular formulaC21H29NO2
XlogP3.8
Topological Polar Surface Area43.7
H-Bond Donor2
H-Bond Acceptor3
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O
Isomeric SMILEC1CC[C@]2([C@H]3CC4=C([C@]2(C1)CCN3CC5CCC5)C=C(C=C4)O)O
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