BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID3303
NameSuboxone
Pubchem ID24847991
KEGG IDN/A
SourceN/A
TypeUnknown
Functionmu agonist(Partial)
Drug Like PropertiesNo
Molecular Weight867.94
Exact mass866.403972
Molecular formulaC48H64Cl2N2O8
XlogPN/A
Topological Polar Surface Area132
H-Bond Donor6
H-Bond Acceptor10
Rotational Bond Count7
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.C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl.Cl
Isomeric SMILECC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O.C=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O.Cl.Cl
Drugpediawiki
References1. Source  
2. Function  
3. All Records