4-amino-3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]diazenyl]-1-naphthalenesulfonic acid, monosodium salt

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 16
Total Number of Articles : 7
PubChem 56955396
Molecular Formula

C22H16FN4NaO3S

SMILES

CC1=C(C=CC(=C1)F)C2=NC=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C22H17FN4O3S.Na/c1-13-10-14(23)6-8-16(13)19-9-7-15(12-25-19)26-27-20-11-21(31(28,29)30)17-4-2-3-5-18(17)22(20)24;/h2-12H,24H2,1H3,(H,28,29,30);/q;+1/p-1

synonyms
  • KUS121
  • 1357164-52-3
  • 4-amino-3-[2-[6-(4-fluoro-2-methylphenyl)-3-pyridinyl]diazenyl]-1-naphthalenesulfonic acid, monosodium salt
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Properties
Property Value
MW 458.4 g/mol
HBD 1
HBA 8
Rotatable Bond Count 4
Exact Mass 458.08248400 g/mol
Monoisotopic Mass 458.08248400 g/mol
Heavy Atom Count 32
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 752
xlogp None
Topological Polar Surface Area 129