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Rosuvastatin

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Name Rosuvastatin EINECS
CAS No. 287714-41-4 Density 1.368 g/cm3
Solubility Melting Point
Formula C22H28FN3O6S Boiling Point 745.6 °C at 760 mmHg
Molecular Weight 481.54 Flash Point 404.7 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 287714-41-4 (Rosuvastatin) Hazard Symbols
Synonyms

(E)-(3R,5S)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methylsulfonyl)(methyl)amino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoicacid;6-heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (6E)-;

 

Chemistry

Molecular Structure of Rosuvastatin (CAS NO.287714-41-4):

IUPAC Name: (E,3R,5R)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid 
Empirical Formula: C22H28FN3O6S
Molecular Weight: 481.5376
H bond acceptors: 9
H bond donors: 3
Freely Rotating Bonds: 12
Polar Surface Area: 116.3 Å2
Index of Refraction: 1.597
Molar Refractivity: 119.98 cm3
Molar Volume: 351.8 cm3
Surface Tension: 62.2 dyne/cm
Density: 1.368 g/cm3
Flash Point: 404.7 °C
Enthalpy of Vaporization: 114.08 kJ/mol
Boiling Point: 745.6 °C at 760 mmHg
Vapour Pressure: 2.38E-23 mmHg at 25°C
InChI
InChI=1/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17+/m0/s1
Smiles
c1(nc(N(S(=O)(=O)C)C)nc(c1\C=C\[C@@H](C[C@H](CC(O)=O)O)O)c1ccc(cc1)F)C(C)C
Classification Code: Anticholesteremic Agents; Antihyperlipidemic; Antilipemic Agents; Antimetabolites; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors

Specification

  Rosuvastatin , with CAS number of 287714-41-4, can be called (E)-(3R,5S)-7-[4-(4-Fluorophenyl)-6-isopropyl-2-[(methylsulfonyl)(methyl)amino]pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoicacid ; 6-heptenoic acid, 7-[4-(4-fluorophenyl)-6-(1-methylethyl)-2-[methyl(methylsulfonyl)amino]-5-pyrimidinyl]-3,5-dihydroxy-, (6E)- .

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