Pioglitazone N-Oxide

HCID 10690658
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Basic information

CAS
145350-09-0
Standard SMILES
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)[n+]([O-])c1
InChIKey
YTKQAGFCVMHNHM-UHFFFAOYSA-N
Molecular formula
C19H20N2O4S
Average molar mass
372.4 g/mol
Monoisotopic mass
372.1143783

Names & identifiers

Preferred name
Pioglitazone N-Oxide
IUPAC
5-[[4-[2-(5-ethyl-1-oxidopyridin-1-ium-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
English name
Pioglitazone N-Oxide
Molecular formula
C19H20N2O4S
Molecular weight
372.44

Names & synonyms

Pioglitazone N-Oxide145350-09-05-[[4-[2-(5-ethyl-1-oxidopyridin-1-ium-2-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione2-(2-(4-((2,4-dioxothiazolidin-5-yl)methyl)phenoxy)ethyl)-5-ethylpyridine 1-oxide2,4-Thiazolidinedione, 5-[[4-[2-(5-ethyl-1-oxido-2-pyridinyl)ethoxy]phenyl]methyl]-PioglitazoneN-Oxide5-[[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-oxideSCHEMBL9545736DTXSID30443587YTKQAGFCVMHNHM-UHFFFAOYSA-NAKOS030255781AS-18997
Show more names
BGLT-01Pioglitazone Impurity 20Pioglitazone Nitrogen Oxide ImpurityPioglitazone-d4 N-Oxide (deuterated)Pioglitazone N-oxide reference standardPioglitazone nitrate reference substance5-[[4-[2-(5-Ethyl-2-pyridinyl]ethoxy]phenyl]methyl]-2,4-thiazolidinedione N-Oxide
rac-2-(2-{4-[(2,4-dioxothiazolidin-5-yl)methyl]phenoxy}ethyl)-5-ethylpyridine-1-oxide5-({4-[2-(5-Ethyl-1-oxo-1lambda~5~-pyridin-2-yl)ethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione

Database identifiers

CAS
145350-09-0
PubChem CID
10690658
DTXSID
DTXSID30443587
Nikkaji
J762.724F

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
106 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
26

Physicochemical properties

Melting point
158 · 158-160°C
Boiling point
666.3 · 666.3±50.0 °C(Predicted)
Density
1.32 · 1.32±0.1 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer, Under Inert Atmosphere
solubility
DMSO (Slightly), Methanol (Slightly)
form
Solid

Chemistry & industry

Applications

UsesA metabolite of Pioglitazone (P471000).

Suppliers57 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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