CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Solubility | Sparingly soluble in water |
| LogP | 0.13 |
| Stability/Shelf Life | Stable under recommended storage conditions. /Rosuvastatin calcium/ |
| Optical Rotation | White powder from water as the monohydrate; begins to melt at 155 °C with no definitive MP. Specific optical rotation: +14.8 deg at 24 °C/D (c = 1.012 in 50% methanol). Sparingly soluble in water, methanol; slightly soluble in ethanol /Rosuvastatin calcium salt/ |
| Ionization Efficiency | Positive |
| Other Experimental Properties | pKa = 4.76; log Kow = 0.26-0.30 at pH 7.0. Solubility in water: 3820 mg/L (pH 5), 22,000 mg/L (pH 7), 4860 mg/l (pH 9). /Rosuvastatin calcium/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 481.5 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 481.16828496 g/mol |
| Monoisotopic Mass | 481.16828496 g/mol |
| Topological Polar Surface Area | 149 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 767 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Rosuvastatin is a dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer). It has a role as an antilipemic drug, an anti-inflammatory agent, a CETP inhibitor, a cardioprotective agent, a xenobiotic and an environmental contaminant. It is a member of pyrimidines, a sulfonamide, a dihydroxy monocarboxylic acid, a statin (synthetic) and a member of monofluorobenzenes. It is functionally related to a hept-6-enoic acid. It is a conjugate acid of a rosuvastatin(1-).