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Troglitazone

CAT: 0926-FT28613-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FT28613-01Size:10 mg
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CAS Number
97322-87-7
Synonyms
5-[[4-[ (3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl) methoxy]phenyl]methyl]-2,4-thiazolidinedione; CI 991; CS 045
MDL Number
MFCD00878416
Smiles
CC1=C (C2=C (CCC (O2) (C) COC3=CC=C (C=C3) CC4C (=O) NC (=O) S4) C (=C1O) C) C
Molecular Formula
C24H27NO5S
Molecular Weight
441.54 g/mol
Controlled
No

Chemical Information

Troglitazone

Troglitazone is a member of chromanes and a thiazolidinone. It has a role as a ferroptosis inhibitor, an antioxidant, a hypoglycemic agent, an antineoplastic agent, a vasodilator agent, an anticonvulsant, an anticoagulant, a platelet aggregation inhibitor and an EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor.

CAS Number97322-87-7
PubChem CID5591
IUPAC Name5-[[4-[(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC24H27NO5S
Molecular Weight441.5
XLogP5.1
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count31
Formal Charge0
Complexity681
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)
InChIKey
GXPHKUHSUJUWKP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Troglitazone
CAS: 97322-87-7
CID: 5591
Formula: C24H27NO5S
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass441.16099414
Monoisotopic Mass441.16099414
Topological Polar Surface Area110 Ų
Heavy Atom Count31
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T3170-01Troglitazone

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