chempirical

Troglitazone

C24H27NO5SCAS 97322-87-7441.54 g/mol

Open in Covalent MOL file
HOOSONHOO
EtherPhenolSulfide

Properties

Molecular formula
C24H27NO5S
Molar mass
441.54 g/mol
Exact mass
441.1610 Da
Melting point
184–186 °C
logP
5.21Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
5

Identifiers

CAS number
97322-87-7
SMILES
Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)N=C3O)cc1)O2
InChIKey
GXPHKUHSUJUWKP-UHFFFAOYSA-N
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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 2,4-Thiazolidinedione, 5-[[4-[(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-
  • 5-[[4-[(3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)methoxy]phenyl]methyl]-2,4-thiazolidinedione
  • CS 045
  • Romglizone
  • GR 92132X
  • CI 991
  • Rezulin
  • Noscal
  • Depotox

Work with Troglitazone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pioglitazone111025-46-846 % similar 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione74772-78-446 % similar Pioglitazone hydrochloride112529-15-444 % similar Rosiglitazone122320-73-443 % similar 5-[[4-[2-(N-Methyl-N-2-pyridylamino)ethoxy]phenyl]methyl]thiazolidine-2,4-dione maleate155141-29-040 % similar Trolox53188-07-140 % similar Dl-α-tocopherol10191-41-037 % similar Dl-α-tocopherol2074-53-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook