PD 180988

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 14
Total Number of Articles : 3
PubChem 23674746
Molecular Formula

C25H17F3KNO6S

SMILES

CCC1=C2C(=CC(=C1)C3=C(N(S(=O)(=O)C4=CC=CC=C43)C5=CC=CC=C5C(F)(F)F)C(=O)[O-])OCO2.[K+]

InChI

InChI=1S/C25H18F3NO6S.K/c1-2-14-11-15(12-19-23(14)35-13-34-19)21-16-7-3-6-10-20(16)36(32,33)29(22(21)24(30)31)18-9-5-4-8-17(18)25(26,27)28;/h3-12H,2,13H2,1H3,(H,30,31);/q;+1/p-1

synonyms
  • Fandosentan potassium
  • 221246-12-4
  • Fandosentan potassium salt
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Properties
Property Value
MW 555.6 g/mol
HBD 0
HBA 10
Rotatable Bond Count 4
Exact Mass 555.03657441 g/mol
Monoisotopic Mass 555.03657441 g/mol
Heavy Atom Count 37
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 2
Complexity 999
xlogp None
Topological Polar Surface Area 104