Record No. 1 of 2

ID1695
NameC-Curarine
Pubchem ID5281386
KEGG IDC09144
SourceStrychnos usambarensis
TypeNatural
FunctionToxic
Drug Like PropertiesNo
Molecular Weight596.80
Exact mass596.351512
Molecular formulaC40H44N4O+2
XlogP3.7
Topological Polar Surface Area15.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(CC1=CC)C)C
Isomeric SMILEC/C=C/1[C@H]2C3=CN4[C@@]56O[C@]37N(C8=CC=CC=C8[C@]79[C@H](C2)[N@+](C1)(CC9)C)C=C5[C@@H]1/C(=CC)/C[N@+]2([C@H]([C@]6(C3=CC=CC=C43)CC2)C1)C
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Record No. 2 of 2

ID1700
NameC-Curarine
Pubchem ID5281386
KEGG IDC09144
SourceStrychnos usambarensis
TypeNatural
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight596.80
Exact mass596.351512
Molecular formulaC40H44N4O+2
XlogP3.7
Topological Polar Surface Area15.7
H-Bond Donor0
H-Bond Acceptor3
Rotational Bond Count0
IUPAC NameN/A
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECC=C1C[N+]2(CCC34C2CC1C5=CN6C7=CC=CC=C7C89C61C(=CN(C53O1)C1=CC=CC=C41)C1CC8[N+](CC9)(CC1=CC)C)C
Isomeric SMILEC/C=C/1[C@H]2C3=CN4[C@@]56O[C@]37N(C8=CC=CC=C8[C@]79[C@H](C2)[N@+](C1)(CC9)C)C=C5[C@@H]1/C(=CC)/C[N@+]2([C@H]([C@]6(C3=CC=CC=C43)CC2)C1)C
Drugpediawiki
References1. Source  
2. Function  
3. All Records