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CAS No.: | 93957-54-1 |
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Name: | Fluvastatin |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C24H26FNO4 |
Molecular Weight: | 411.473 |
Synonyms: | 6-Heptenoic acid,7-[3-(4-fluorophenyl)-1-(1-methylethyl)-1H-indol-2-yl]-3,5-dihydroxy-,[R*,S*-(E)]-;Leschol; |
EINECS: | 695-664-7 |
Density: | 1.231 g/cm3 |
Melting Point: | 194-197oC |
Boiling Point: | 681.782 °C at 760 mmHg |
Flash Point: | 366.128 °C |
Appearance: | Solid |
Hazard Symbols: | Xi |
Risk Codes: | R36/37/38; R42/43 |
PSA: | 82.69000 |
LogP: | 4.62810 |
The Fluvastatin, with the CAS registry number 93957-54-1, is also known as Leschol. It belongs to the product categories of Indoles and derivatives; (Intermediate of Fluvastatin); Intermediates & Fine Chemicals; Pharmaceuticals; Fluvastatin. This chemical's molecular formula is C24H26FNO4 and molecular weight is 411.47. What's more, its systematic name is (3R,5S,6E)-7-[3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxy-6-heptenoic acid. Its classification codes are: (1)Anticholesteremic Agents; (2)Antilipemic Agents; (3)Antimetabolites; (4)Enzyme Inhibitors; (5)Hydroxymethylglutaryl-CoA Reductase Inhibitors; (6)Hypolipidemic Agents; (7)Lipid Regulating Agents. This chemical is a once-a-day oral medication for the treatment of high blood cholesterol (hypercholesterolemia) in patients who do not respond to diet alone. It is a member of the drug class of statins, used to treat hypercholesterolemia and to prevent cardiovascular disease.
Physical properties of Fluvastatin are: (1)ACD/LogP: 3.624; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.28; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 15.05; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 100.37; (8)ACD/KOC (pH 7.4): 1.71; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 82.69 Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 112.373 cm3; (15)Molar Volume: 334.234 cm3; (16)Polarizability: 44.548×10-24cm3; (17)Surface Tension: 43.54 dyne/cm; (18)Density: 1.231 g/cm3; (19)Flash Point: 366.128 °C; (20)Enthalpy of Vaporization: 105.063 kJ/mol; (21)Boiling Point: 681.782 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](O)C[C@H](O)/C=C/c2c(c1ccccc1n2C(C)C)c3ccc(F)cc3
(2)Std. InChI: InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1
(3)Std. InChIKey: FJLGEFLZQAZZCD-MCBHFWOFSA-N