Record No. 1 of 1

ID3454
NameTubocurarine
Pubchem ID64645
KEGG IDN/A
SourceMenispermaceae
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight681.65
Exact mass680.241993
Molecular formulaC37H42Cl2N2O6
XlogPN/A
Topological Polar Surface Area81.8
H-Bond Donor3
H-Bond Acceptor8
Rotational Bond Count2
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[NH+]1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.[Cl-].[Cl-]
Isomeric SMILEC[NH+]1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.[Cl-].[Cl-]
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