134523-03-8 (Atorvastatin calcium)

1. Introduction of Atorvastatin calcium (CAS NO.: 134523-03-8)

Atorvastatin calcium(CAS NO.: 134523-03-8) is a kind of white or almost white powder with no odour, taste and little hygroscopicity. Then this chemical is freely soluble in methanol, very slightly soluble in chloroform while insoluble in water, ethyl acetate, aether and cyclohexane. When you need to store it, it should be kept in a cool and dry place with the temperature of +4°C.

Atorvastatin calcium (CAS NO.: 134523-03-8) has its biological activity of being the potent HMG-CoA reductase inhibitor (IC50 = 8 nM) or 'statin'. This chemical could reduce circulating LDL-C by inhibiting cholesterol biosynthesis and inducing expression of LDL receptors and inhibit smooth muscle cell proliferation in vitro and exhibits antinociceptive effects in the inflammatory hypernociception model. Beside, it is widely applied in many other ways. It could be applied as the hypolipidemics which function for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia; It could also be used as the intermediate; It could be used to adjust the blood fat and be the antiatherosclerotic drugs and may also reduce the risk of heart attack, stroke, or other health problems in patients with risk factors for heart disease.

2. Basic Information of Atorvastatin calcium (CAS NO.: 134523-03-8)

1). General Knowledge of Atorvastatin calcium

Atorvastatin calcium, with its CAS registry number 134523-03-8, has its IUPAC name of calcium(3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate. With its chemical formula of C₆₆H₆₈CaF₂N₄O₁₀ and molecular weight of 1155.36, this chemical is a kind of white or almost white crystalline powder and belongs to the applicable category which includes Cardiovascular agents.

2). Specification of Atorvastatin calcium (CAS NO.: 134523-03-8)

Atorvastatin calcium has the following specification details: (1)Purity:≥98% on the anhydrous basis; (2)Loss on drying: 3%~6%; (3)Specific rotation: -9°~-7°; (4)Related impurities: The peak area of total impurities: ≤1%; the peak area of the individual; (5)Impurity: ≤0.3%; (6)Heavy metal: ≤ 20 PPM; (7)Applicable category: Antilipemic agent.

3). Properties of Atorvastatin calcium (CAS NO.: 134523-03-8)

The other characteristics of Atorvastatin calcium can be summarized as: (1)ACD/LogP: 4.01; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.67; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 30.22; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 166.79; (8)ACD/KOC (pH 7.4): 2.83; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 14; (12)Polar Surface Area: 81; (13)Flash Point: 390.6 °C; (14)Enthalpy of Vaporization: 110.74 kJ/mol; (15)Boiling Point: 722.2 °C at 760 mmHg; (16)Vapour Pressure: 6.84E-22 mmHg at 25°C.

4). Safety Information of Atorvastatin calcium (CAS NO.: 134523-03-8)

When you are dealing with Atorvastatin calcium (CAS NO.: 134523-03-8), you should be careful and then take some measures to protect youreself from danger. For being irritating to eyes, respiratory system and skin, Atorvastatin calcium may cause damage to health. And it is also very dangerous if by by inhalation, in contact with skin and if swallowed. As to the above dangerous information, you should wear suitable protective clothing and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

5). Descriptors of Structure

(1). SMILES:[Ca+2].[O-]C(=O)C[C@H](O)C[C@H](O)CCn4c(c(C(=O)Nc1ccccc1)c(c2ccccc2)c4c3ccc(F)cc3)C(C)C.[O-]C(=O)C[C@H](O)C[C@H](O)CCn2c(c(c(c2c1ccc(F)cc1)c3ccccc3)C(=O)Nc4ccccc4)C(C)C
(2). InChI:InChI=1/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1
(3). InChIKey:FQCKMBLVYCEXJB-GMSHLEBUBW

3. Package & Storage of Atorvastatin calcium (CAS NO.: 134523-03-8)

(1). Packing information of Atorvastatin calcium (CAS NO.: 134523-03-8): 10 kg/drum
(2). Atorvastatin calcium can also be packed according to the customer requirements and packaging specifications.