BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1651
NameBuprenorphine-d4
Pubchem ID6914096
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionAnalgesic
Drug Like PropertiesYes
Molecular Weight471.66
Exact mass471.328666
Molecular formulaC29H41NO4
XlogP5
Topological Polar Surface Area62.2
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count5
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
Isomeric SMILE[2H]C1(CC1C([2H])([2H])N2CC[C@]34[C@@H]5C6(CC[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)C[C@@H]6[C@@](C)(C(C)(C)C)O)OC)[2H]
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