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Ketopioglitazone

CAT: 0931-T20465Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T20465Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
146062-45-5
Target
Others, PPAR
Related Pathways
Metabolism, DNA Damage/DNA Repair, Others
Bioactivity
Ketopioglitazone is an active metabolite of pioglitazone.
Smiles
O=C1SC(C(=O)N1)CC2=CC=C(OCCC3=NC=C(C=C3)C(=O)C)C=C2
Molecular Formula
C19H18N2O4S
Molecular Weight
370.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ketopioglitazone
CAS Number146062-45-5
PubChem CID5201446
IUPAC Name5-[[4-[2-(5-acetyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC19H18N2O4S
Molecular Weight370.4
XLogP2.6
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity534
SMILES
CC(=O)C1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3
InChI
InChI=1S/C19H18N2O4S/c1-12(22)14-4-5-15(20-11-14)8-9-25-16-6-2-13(3-7-16)10-17-18(23)21-19(24)26-17/h2-7,11,17H,8-10H2,1H3,(H,21,23,24)
InChIKey
JMLKLMFMQRAJNI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ketopioglitazone
CAS: 146062-45-5
CID: 5201446
Formula: C19H18N2O4S
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass370.09872823
Monoisotopic Mass370.09872823
Topological Polar Surface Area111 Ų
Heavy Atom Count26
Formal Charge0
Complexity534
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-119311-01Ketopioglitazone
HY-119311S-01Ketopioglitazone-d4

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