BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2693
NameMivacurium
Pubchem ID6308454
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionNeuromuscular blocking agent
Drug Like PropertiesNo
Molecular Weight1029.26
Exact mass1028.560955
Molecular formulaC58H80N2O14+2
XlogP8.7
Topological Polar Surface Area145
H-Bond Donor0
H-Bond Acceptor14
Rotational Bond Count30
IUPAC Namebis[3-[6,7-dimethoxy-2-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propyl] (E)-oct-4-enedioate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILEC[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
Isomeric SMILEC[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C
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