5-(4-Hydroxybenzyl)thiazolidine-2,4-dione

HCID 10198397

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Basic information

CAS: 74772-78-4
Standard SMILES: O=C1NC(=O)C(Cc2ccc(O)cc2)S1
InChIKey: NKOHRVBBQISBSB-UHFFFAOYSA-N
Molecular formula: C10H9NO3S
Average molar mass: 223.25 g/mol
Monoisotopic mass: 223.03031415

Names & identifiers

Preferred name: 5-(4-Hydroxybenzyl)thiazolidine-2,4-dione
IUPAC: 5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
English name: 5-(4-Hydroxybenzyl)-2,4-thiazolidinedione
Molecular formula: C10H9NO3S
Molecular weight: 223.25

Names & synonyms

5-(4-Hydroxybenzyl)thiazolidine-2,4-dioneGlitazoneU-90441UNII-M8U25244KP5-(4-Hydroxybenzyl)thiazolidin-2,4-dioneM8U25244KPRefChem:10170474772-78-45-(4-Hydroxybenzyl)-2,4-thiazolidinedione5-(4-HYDROXYBENZYL)-1,3-THIAZOLIDINE-2,4-DIONE5-[(4-hydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dioneMFCD00754499

Show more names

PIOGLITAZONE-PIO-IIPioglitazone Impurity 15Pioglitazone impurities1595Pioglitazone degradation impurities5-(4-Hydroxybenzyl)-2,4-thiazolidinedione>5-(4-Hydroxybenzyl)-1,3-thiazolidine-2,4-dione

2,4-Thiazolidinedione, 5-[(4-hydroxyphenyl)methyl]-Pioglitazone M1 MetaboliteDepyridinyl Abiraterone 3-Acetate 17-HydrazonePioglitazone Impurity 8Pioglitazone Metabolite M15-[(4-Hydroxyphenyl)methyl]-2,4-thiazolidinedione; U 90441;Depyridinyl Abiraterone 3-Acetate 17-Hydrazone (1mg/ml in Acetonitrile)(3ss)?-3-?(Acetyloxy)?-?androst-?5-?en-?17-?one 17-?hydrazone; Dehydro 3-Acetyl-epiandrosterone Hydrazone; ATA1E

Database identifiers

CAS: 74772-78-4
PubChem CID: 10198397
DTXSID: DTXSID501270095
ChEMBL: CHEMBL1061
UNII: M8U25244KP
Nikkaji: J460.683C

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 91.7 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 274

Physicochemical properties

Melting point: 145 · 145-147°C
Boiling point: 471.5 · 471.5±18.0 °C(Predicted)
Density: 1.45 · 1.450±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
solubility: DMSO (Slightly, Heated), Methanol (Slightly)
form: powder to crystal
pka: 6.38 · 6.38±0.50(Predicted)
color: White to Light yellow to Light red
FDA UNII: 8 U25244KP · M8U25244KP
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c
HS Code: 2934100090 · 2934100090

Safety & regulation

Safety data

hs_code: 2934100090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264b-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362+P364-P403+P233-P501c