BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2835
NameNSC99802
Pubchem ID24190020
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight377.86
Exact mass377.139386
Molecular formulaC20H24ClNO4
XlogPN/A
Topological Polar Surface Area49
H-Bond Donor2
H-Bond Acceptor5
Rotational Bond Count6
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2,3-dihydroisoquinolinehydrochloride
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECOC1=C(C=C(C=C1)CC2=C3C=C(C(=CC3=CCN2)OC)OC)OC.Cl
Isomeric SMILEN/A
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