BIADB: A Database for Benzylisoquinoline Alkaloids

Record No - 1 of 1
ID2161
NameFenazo bluexg
Pubchem ID62498
KEGG IDN/A
SourceN/A
TypeUnknown
FunctionUnknown
Drug Like PropertiesNo
Molecular Weight690.80
Exact mass690.183423
Molecular formulaC37H35N2NaO6S2
XlogPN/A
Topological Polar Surface Area121
H-Bond Donor0
H-Bond Acceptor7
Rotational Bond Count9
IUPAC Namesodium4-[[4-(ethyl-(phenylmethyl)amino)phenyl]-[4-(ethyl-(phenylmethyl)azaniumylidene)-1-cyclohexa-2,5-dienylidene]methyl]benzene-1,3-disulfonate
Structure
   
SDF file
MOL file
PDB file
Canonical SMILECCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC=CC=C4)C=C3)C5=C(C=C(C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
Isomeric SMILEN/A
Drugpediawiki
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