Troglitazone

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 697
Total Number of Articles : 1150
PubChem 5591
Molecular Formula

C24H27NO5S

SMILES

CC1=C(C2=C(CCC(O2)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C(=C1O)C)C

InChI

InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)

synonyms
  • troglitazone
  • 97322-87-7
  • Rezulin
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Properties
Property Value
MW 441.5 g/mol
HBD 2
HBA 6
Rotatable Bond Count 5
Exact Mass 441.16099414 g/mol
Monoisotopic Mass 441.16099414 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 681
xlogp 5.1
Topological Polar Surface Area 110