BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2041
NameDimethyltubocurarine
Pubchem ID24892848
KEGG IDD07272
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight637.78
Exact mass637.327762
Molecular formulaC39H45N2O6+
XlogP6.7
Topological Polar Surface Area58.6
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count4
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC
Isomeric SMILECN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)OC)O3)[N+](CCC6=CC(=C5OC)OC)(C)C)OC
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