Atorvastatin (134523-00-5),Atorvastatin (134523-00-5) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
Atorvastatin
CAS No.:
134523-00-5
Molecular Structure:
Formula:
C₃₃H₃₅FN₂O₅
Molecular Weight:
558.65
Synonyms:
1H-Pyrrole-1-heptanoicacid, 2-(4-fluorophenyl)-b,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-,[R-(R*,R*)]-;(3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoicacid;(bR,dR)-2-(p-Fluorophenyl)-b,d-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoicacid;Atorvastatin acid;Cardyl;Atorvastatin(base);
Density:
1.23 g/cm³
Boiling Point:
722.2 °C at 760 mmHg
Flash Point:
390.6 °C

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Chemistry

Molecular Structure of Atorvastatin (CAS NO.134523-00-5):

IUPAC Name: (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Empirical Formula: C₃₃H₃₅FN₂O₅
Molecular Weight: 558.6398
H bond acceptors: 7
H bond donors: 4
Freely Rotating Bonds: 14
Polar Surface Area: 70Å²
Index of Refraction: 1.602
Molar Refractivity: 155.21 cm³
Molar Volume: 451.9 cm³
Surface Tension: 45^.9 dyne/cm
Density: 1.23 g/cm³
Flash Point: 390.6 °C
Enthalpy of Vaporization: 110.74 kJ/mol
Boiling Point: 722.2 °C at 760 mmHg
Vapour Pressure: 6.84E-22 mmHg at 25 °C
Classification Code: Anticholesteremic Agents; Antilipemic Agents; Antimetabolites; Enzyme Inhibitors; Hydroxymethylglutaryl-CoA Reductase Inhibitors
InChI: InChI=1/C33H35FN2O5/c1-21(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/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
Smiles: c1(c(n(CC[C@H](C[C@H](CC(=O)O)O)O)c(c1C(Nc1ccccc1)=O)C(C)C)c1ccc(F)cc1)c1ccccc1

History

Atorvastatin (CAS NO.134523-00-5) was first synthesized in 1985 by Bruce Roth while working at Parke-Davis Warner-Lambert Company (now Pfizer). With 2006 sales of US$12.9 billion, Lipitor is the largest-selling drug in the world. Lipitor is not the only statin, there are several other statins on the market.

Uses

Atorvastatin is a member of the drug class known as statins, used for lowering blood cholesterol. It also stabilizes plaque and prevents strokes through anti-inflammatory and other mechanisms.

Safety Profile

Hazard Codes: Harmful Xn
Risk Statements 20/21/22-36/37/38
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.

Specification

Atorvastatin , with CAS number of 134523-00-5, can be called 1H-Pyrrole-1-heptanoicacid, 2-(4-fluorophenyl)-b,d-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-,[R-(R*,R*)]- ; (bR,dR)-2-(p-Fluorophenyl)-b,d-dihydroxy-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrole-1-heptanoicacid ; (3R,5R)-7-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-phenylcarbamoylpyrrol-1-yl]-3,5-dihydroxyheptanoicacid . Atorvastatin (CAS NO.134523-00-5) is used for lowering blood Cholesterol. It also stabilizes plaque and prevents strokes through anti-inflammatory and other mechanisms.