BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2952
NamePROMETH W/ CODEINE
Pubchem ID24847836
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight718.24
Exact mass717.240436
Molecular formulaC35H45ClN3O7PS
XlogPN/A
Topological Polar Surface Area126
H-Bond Donor5
H-Bond Acceptor10
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.OP(=O)(O)O.Cl
Isomeric SMILECC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.OP(=O)(O)O.Cl
Drugpediawiki
References1. Source  
2. Function  
3. All Records