Rosuvastatin calcium

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: -

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