Structure

Atorvastatin

CAS
134523-00-5
Catalog Number
ACM134523005
Category
Other Products
Molecular Weight
558.65
Molecular Formula
C33H35FN2O5

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Specification

Synonyms
Atorvastatin acid
IUPAC Name
(3R,5R)-7-[2-(4-Fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid
Canonical SMILES
CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/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
InChI Key
XUKUURHRXDUEBC-KAYWLYCHSA-N
Boiling Point
722.2±60.0 °C
Melting Point
176-178 °C
Flash Point
390.57 °C
Density
1.23±0.1 g/cm³
Appearance
Solid
Storage
2-8 °C
Complexity
822
Exact Mass
558.25300038
Hazard Statements
Xn
Isomeric SMILES
CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Monoisotopic Mass
558.25300038
Safety Description
26-36
Topological Polar Surface Area
112 Ų
What is the PubChem CID of Atorvastatin?

The PubChem CID of Atorvastatin is 60823.

What is the molecular formula of Atorvastatin?

The molecular formula of Atorvastatin is C33H35FN2O5.

What is the molecular weight of Atorvastatin?

The molecular weight of Atorvastatin is 558.6 g/mol.

What is the chemical class of Atorvastatin?

Atorvastatin is a member of the drug class known as statins.

What is the primary use of Atorvastatin?

Atorvastatin is primarily used for lowering blood cholesterol and for preventing cardiovascular diseases.

How does Atorvastatin work?

Atorvastatin inhibits the endogenous production of cholesterol in the liver by competitively inhibiting the enzyme HMG-CoA Reductase.

What are the other synonyms of Atorvastatin?

Some other synonyms of Atorvastatin are Tozalip, Xavator, and Cardyl.

When was Atorvastatin first synthesized?

Atorvastatin was first synthesized in 1985.

What are the first-line treatment options for dyslipidemia?

Atorvastatin and other statins including lovastatin, pravastatin, rosuvastatin, fluvastatin, and simvastatin are considered first-line treatment options for dyslipidemia.

What is the role of Atorvastatin as an environmental contaminant?

Atorvastatin has a role as an environmental contaminant and a xenobiotic.

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