BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID1227
Name(+)-Armepavine (-)-mandelate
Pubchem ID363092
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight465.54
Exact mass465.215138
Molecular formulaC27H31NO6
XlogPN/A
Topological Polar Surface Area99.5
H-Bond Donor3
H-Bond Acceptor7
Rotational Bond Count6
IUPAC Name4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenol; 2-hydroxy-2-phenylaceticacid
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC)OC.C1=CC=C(C=C1)C(C(=O)O)O
Isomeric SMILEN/A
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