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Pioglitazone N-Oxide

CAT: 0572-TRC-P471010-2.5MGSize: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-P471010-2.5MGSize:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145350-09-0
Synonyms
5-[[4-[2-(5-Ethyl-1-oxido-2-pyridinyl)ethoxy]phenyl]methyl]-2,4-thiazolidinedione; 2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-, N-oxide; Pioglitazone N-oxide
Hazard Statement
No Data Available
Smiles
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)[n+]([O-])c1
Molecular Formula
C19 H20 N2 O4 S
Molecular Weight
372.44
InChI
InChI=1S/C19H20N2O4S/c1-2-13-3-6-15(21(24)12-13)9-10-25-16-7-4-14(5-8-16)11-17-18(22)20-19(23)26-17/h3-8,12,17H,2,9-11H2,1H3,(H,20,22,23)
Additionnal Information
IUPAC name: 5-[[4-[2-(5-ethyl-1-oxidopyridin-1-ium-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Pioglitazone N-Oxide
CAS Number145350-09-0
PubChem CID10690658
IUPAC Name5-[[4-[2-(5-ethyl-1-oxidopyridin-1-ium-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
Molecular FormulaC19H20N2O4S
Molecular Weight372.4
XLogP2.8
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity496
SMILES
CCC1=C[N+](=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)[O-]
InChI
InChI=1S/C19H20N2O4S/c1-2-13-3-6-15(21(24)12-13)9-10-25-16-7-4-14(5-8-16)11-17-18(22)20-19(23)26-17/h3-8,12,17H,2,9-11H2,1H3,(H,20,22,23)
InChIKey
YTKQAGFCVMHNHM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pioglitazone N-Oxide
CAS: 145350-09-0
CID: 10690658
Formula: C19H20N2O4S
MW: 372.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight372.4
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass372.11437830
Monoisotopic Mass372.11437830
Topological Polar Surface Area106 Ų
Heavy Atom Count26
Formal Charge0
Complexity496
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