Rosuvastatin calcium
A synthetic, orally administered statin used to treat hypercholesterolemia and mixed dyslipidemia and to reduce the risk of atherosclerotic cardiovascular events in selected patients. Rosuvastatin competitively inhibits HMG-CoA reductase, the rate-limiting enzyme in hepatic cholesterol biosynthesis, increasing LDL receptor expression and enhancing clearance of circulating LDL cholesterol. It also reduces triglyceride concentrations and can moderately increase HDL cholesterol
CAS Number: 147098-20-2
Molecular Mass: 1001.1 g/mol
Formula: C44H54CaF2N6O12S2
Smiles: CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].CC(C)c1nc(N(C)S(C)(=O)=O)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-].[Ca+2]
Synonymes:
Rosuvastatin calcium, 147098-20-2, Crestor, Rosuvastatin hemicalcium, Rosuvastatin Calcium Salt, Fortius, Rostar, Rozavel, Suvikan, ZD 4522, S-4522, Rosuvastatin (as calcium), ZD4522 CALCIUM, ZD-4522 CALCIUM, EZALLOR, 83MVU38M7Q, NSC-747274, NSC-758930, DTXSID9045928, CHEBI:77249, Calcium, Rosuvastatin, ROSZET COMPONENT ROSUVASTATIN CALCIUM, Rosuvastain Calcium, EZALLOR SPRINKLE, RefChem:6206, ROSUVASTATIN CALCIUN, DTXCID301508474, Rosuvastatin calcium [USAN], MFCD04112702, ZD4522 (calcium salt), Crestor (TN), calcium (3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate, Rovista, ZD 4522, calcium salt, calcium, (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate, S 4522, C44H54CaF2N6O12S2, UNII-83MVU38M7Q, Provisacor, Shufutan, Rosuvastatin Calcium CRS, MSK10416Ca, ZD-4522 (Calcium salt), SCHEMBL150740, orb1308393, orb3141218, CHEMBL1744447, SCHEMBL29399189, Rosuvastatin calcium (JP18/USP), ROSUVASTATIN CALCIUM [JAN], AZD-4522, ROSUVASTATIN CALCIUM [MART.], s2169, ROSUVASTATIN CALCIUM [USP-RS], ROSUVASTATIN CALCIUM [WHO-DD], AKOS005145896, AKOS017343682, ROSUVASTATIN CALCIUM SALT [MI], CCG-270606, FR27760, KS-1109, NSC 747274, NSC 758930, Rosuvastatin for system suitability CRS, (S-((R*,S*-(E)))- 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), (S-(R*,S*-(E)))-7-(4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), 6-Heptenoic acid, 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl)amino)-5-pyrimidinyl)-3,5-dihydroxy-, calcium salt (2:1), (3R,5S,6E), AS-12488, ROSUVASTATIN CALCIUM [ORANGE BOOK], SY073043, ROSUVASTATIN CALCIUM [EP MONOGRAPH], ROSUVASTATIN CALCIUM [USP MONOGRAPH], R0180, D01915, Q27146836, (3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoic acid, calcium salt (2:1), (S-((R*,S*-(E)))- 7-(4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methyl(methylsulfonyl) amino)-5-pyrimidinyl)-3,5-dihydroxy-6-heptenoic acid, calcium salt (2:1), (S-(R*,S*-(E)))-7-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYL(METHYLSULFONYL)AMINO)-5-PYRIMIDINYL)-3,5-DIHYDROXY-6-HEPTENOIC ACID, CALCIUM SALT, 6-HEPTENOIC ACID, 7-(4-(4-FLUOROPHENYL)-6-(1-METHYLETHYL)-2-(METHYLSULFONYL)AMINO)-5-PYRIMIDINYL)-3,5-DIHYDROXY-, CALCIUM SALT (2:1), (3R,5S,6E)-, BIS((E)-7-(4-(4-FLUOROPHENYL)-6-ISOPROPYL-2-(METHYL(METHYLSULFONYL)AMINO)-PYRIMIDE-5-YL)-(3R,5S)3,5-DIHYDROXYLHEPT-6-ENOIC ACID) CALCIUM, calcium bis[(3R,5S,6E)-7-{4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl}-3,5-dihydroxyhept-6-enoate], Calcium bis{(3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate}, calcium(3R,5S,E)-7-(4-(4-fluorophenyl)-6-isopropyl-2-(N-methylmethylsulfonamido)pyrimidin-5-yl)-3,5-dihydroxyhept-6-enoate, calcium, (E,3R,5S)-7-[4-(4-fluorophenyl)-6-isopropyl-2-[methyl(methylsulfonyl)amino]pyrimidin-5-yl]-3,5-dihydroxy-hept-6-enoate
Bioactivity: HMG-CoA reductase inhibitor; lipid-lowering statin
Solubility in Different Solvents
| Solvent | Temperature [K] | Crystal form | Solubility [mg/mL] | Reference |
|---|---|---|---|---|
| 1-Butanol | 298.15 | - | 4.671 | [92] |
| 1-Butanol | 303.15 | - | 5.538 | [92] |
| 1-Butanol | 308.15 | - | 6.623 | [92] |
| 1-Butanol | 313.15 | - | 7.623 | [92] |
| 1-Butanol | 318.15 | - | 8.76 | [92] |
| 2-Butanol | 298.15 | - | 0.7768 | [92] |
| 2-Butanol | 303.15 | - | 0.86 | [92] |
| 2-Butanol | 308.15 | - | 0.9607 | [92] |
| 2-Butanol | 313.15 | - | 1.058 | [92] |
| 2-Butanol | 318.15 | - | 1.145 | [92] |
| Ethanol | 298.15 | - | 5.754 | [92] |
| Ethanol | 303.15 | - | 6.655 | [92] |
| Ethanol | 308.15 | - | 7.916 | [92] |
| Ethanol | 313.15 | - | 9.57 | [92] |
| Ethanol | 318.15 | - | 11.37 | [92] |
| Ethylene Glycol | 298.15 | - | 4.566 | [92] |
| Ethylene Glycol | 303.15 | - | 5.551 | [92] |
| Ethylene Glycol | 308.15 | - | 6.654 | [92] |
| Ethylene Glycol | 313.15 | - | 7.8 | [92] |
| Ethylene Glycol | 318.15 | - | 8.893 | [92] |
| Isopropanol | 298.15 | - | 3.957 | [92] |
| Isopropanol | 303.15 | - | 4.739 | [92] |
| Isopropanol | 308.15 | - | 5.563 | [92] |
| Isopropanol | 313.15 | - | 6.388 | [92] |
| Isopropanol | 318.15 | - | 7.205 | [92] |
| Propylene Glycol | 298.15 | - | 215.3 | [92] |
| Propylene Glycol | 303.15 | - | 225.7 | [92] |
| Propylene Glycol | 308.15 | - | 237.5 | [92] |
| Propylene Glycol | 313.15 | - | 247.9 | [92] |
| Propylene Glycol | 318.15 | - | 258.0 | [92] |
| Water | 298.15 | - | 0.299 | [92] |
| Water | 303.15 | - | 0.3884 | [92] |
| Water | 308.15 | - | 0.5 | [92] |
| Water | 313.15 | - | 0.6231 | [92] |
| Water | 318.15 | - | 0.77 | [92] |
Molecule 3D descriptors
| Descriptor | Value |
|---|---|
| PMI1 | 6696.5798 |
| PMI2 | 17238.2695 |
| PMI3 | 21468.6196 |
| NPR1 | 0.3119 |
| NPR2 | 0.8030 |
| RadiusOfGyration | 4.7619 |
| InertialShapeFactor | 0.0001 |
| Eccentricity | 0.9501 |
| Asphericity | 0.3369 |
| SpherocityIndex | 0.2230 |
| PBF | 1.0357 |