BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2735
NameNalbuphine
Pubchem ID5360733
KEGG IDD00843
SourceN/A
TypeUnknown
FunctionAnesthesia adjuvant
Drug Like PropertiesNo
Molecular Weight393.90
Exact mass393.170686
Molecular formulaC21H28ClNO4
XlogPN/A
Topological Polar Surface Area73.2
H-Bond Donor4
H-Bond Acceptor5
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC1CC(C1)CN2CCC34C5C(CCC3(C2CC6=C4C(=C(C=C6)O)O5)O)O.Cl
Isomeric SMILEC1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.Cl
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