BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2834
NameNSC635458
Pubchem ID366736
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesYes
Molecular Weight422.31
Exact mass421.088871
Molecular formulaC20H24BrNO4
XlogP3.9
Topological Polar Surface Area49
H-Bond Donor1
H-Bond Acceptor5
Rotational Bond Count6
IUPAC Name1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C2C(NCCC2=C1)CC3=CC(=C(C=C3Br)OC)OC)OC
Isomeric SMILEN/A
Drugpediawiki
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