122320-73-4
Product Name:
Rosiglitazone
Formula:
C18H19N3O3S
Synonyms:
5-[[4-[2-(Methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-2,4-thiazolidinedione;Rosiglitazone
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | Colorless crystals from methanol |
| Melting Point | 122-123 °C |
| LogP | 2.4 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | Hazardous decomposition products formed under fire conditions: Carbon oxides, Nitrogen oxides (NOx), Sulfur oxides. |
| Dissociation Constants | pKa1 6.8; pKa2 6.1 /Rosiglitazone maleate/ |
| Collision Cross Section | 172.6 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | MW: 473.50, White to off-white solid, MP 122-123 °C. pKa 6.1; 6.8. Readily soluble in ethanol and in buffered aqueous solution with pH of 2.3; solubility decreases with the increasing pH in the physiological range. /Rosigiltazone maleate/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 357.4 g/mol |
|---|---|
| XLogP3 | 3.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 357.11471265 g/mol |
| Monoisotopic Mass | 357.11471265 g/mol |
| Topological Polar Surface Area | 96.8 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 469 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Rosiglitazone is an aminopyridine and a member of thiazolidinediones. It has a role as an insulin-sensitizing drug, a ferroptosis inhibitor and an EC 6.2.1.3 (long-chain-fatty-acid--CoA ligase) inhibitor. It is a conjugate acid of a rosiglitazone(1-).