Products Categories
CAS No.: | 147511-69-1 |
---|---|
Name: | Pitavastatin |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C25H24FNO4 |
Molecular Weight: | 421.468 |
Synonyms: | 6-Heptenoicacid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-3,5-dihydroxy-,[S-[R*,S*-(E)]]-;(+)-(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolyl]-3,5-dihydroxy-6-heptenoicacid;(3R,5S,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoicacid;NK 104; |
Density: | 1.352 g/cm3 |
Boiling Point: | 691.961 °C at 760 mmHg |
Flash Point: | 372.285 °C |
PSA: | 90.65000 |
LogP: | 4.51810 |
This chemical is called Pitavastatin, and its IUPAC name is (E,3R,5S)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid. With the molecular formula of C25H24FNO4, its molecular weight is 421.46. The CAS registry number of this chemical is 147511-69-1, and its classification codes are Antihyperlipidemic; Enzyme Inhibitors.
Other characteristics of the Pitavastatin can be summarised as followings: (1)ACD/LogP: 3.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.92; (4)ACD/LogD (pH 7.4): 0.22; (5)ACD/BCF (pH 5.5): 7.79; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 59.84; (8)ACD/KOC (pH 7.4): 1.18; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 57.65 Å2; (13)Index of Refraction: 1.679; (14)Molar Refractivity: 117.77 cm3; (15)Molar Volume: 311.6 cm3; (16)Polarizability: 46.68×10-24cm3; (17)Surface Tension: 64.7 dyne/cm; (18)Density: 1.352 g/cm3; (19)Flash Point: 372.3 °C; (20)Enthalpy of Vaporization: 106.48 kJ/mol; (21)Boiling Point: 692 °C at 760 mmHg; (22)Vapour Pressure: 4.21E-20 mmHg at 25°C.
Uses of this chemical: Like the other statins, pitavastatin is indicated for hypercholesterolaemia (elevated cholesterol) and for the prevention of cardiovascular disease. It can consistently increase HDL cholesterol (10–25%), especially in patients with HDL lower than 40 mg/dl. As a consequence, this chemical is most likely to be appropriate for patients with metabolic syndrome with high LDL, low HDL and diabetes mellitus.
This chemical may cause the side-effects like headaches, stomach upset, abnormal liver function tests and muscle cramps. However, it seems to lead to less muscle side effects than other statins.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CC(O)CC(O)/C=C/c1c(c3ccccc3nc1C2CC2)c4ccc(F)cc4
2.InChI: InChI=1/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+
3.InChIKey: VGYFMXBACGZSIL-VAWYXSNFBA