Desfluoroatorvastatin

Base Information

Chemical Name:Desfluoroatorvastatin
CAS No.:433289-84-0
Molecular Formula:C₃₃H₃₆N₂O₅
Molecular Weight:540.659
Hs Code.:
European Community (EC) Number:809-234-5
UNII:831WX29C91
DSSTox Substance ID:DTXSID80195827
Nikkaji Number:J2.914.041C
Wikidata:Q27269377
Mol file:433289-84-0.mol

Synonyms:Desfluoroatorvastatin;433289-84-0;Defluoro Atorvastatin;UNII-831WX29C91;Defluoroatorvastatin;831WX29C91;desfluoro-atorvastatin;1H-Pyrrole-1-heptanoic acid, beta,delta-dihydroxy-2-(1-methylethyl)-4,5-diphenyl-3-((phenylamino)carbonyl)-, (betaR,deltaR)-;Atorvastatin calcium trihydrate impurity A [EP];(3R,5R)-3,5-Dihydroxy-7-(5-(1-methylethyl)-2,3-diphenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)heptanoic acid;(3R,5R)-7-[2,3-diphenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoic acid;Atorvastatin EP Impurity A;Atorvastatin impurity A;SCHEMBL4428595;DTXSID80195827;CHEBI:191096;AKOS027326637;HY-135373;CS-0112178;433289-83-9;A872716;A899691;ATORVASTATIN CALCIUM IMPURITY A [EP IMPURITY];Q27269377;433289-84-0 (acid) 433289-83-9 (sodium salt);(3R,5R)-7-[2,3-Diphenyl-5-isopropyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-yl]-3,5-dihydroxyheptanoic acid;1H-PYRROLE-1-HEPTANOIC ACID, .BETA.,.DELTA.-DIHYDROXY-2-(1-METHYLETHYL)-4,5-DIPHENYL-3-((PHENYLAMINO)CARBONYL)-, (.BETA.R,.DELTA.R)-;monocalcium mono((3R,5R)-3,5-dihydroxy-7-(2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)-1H-pyrrol-1-yl)heptanoate)

Suppliers and Price of Desfluoroatorvastatin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Defluoro Atorvastatin Calcium Salt
5mg
$ 496.00

Medical Isotopes, Inc.
DES Fluoroatorvastatin
50 mg
$ 3250.00

Medical Isotopes, Inc.
DES Fluoroatorvastatin
10 mg
$ 1300.00

Biosynth Carbosynth
Desfluoro atorvastatin
100 mg
$ 400.00

Biosynth Carbosynth
Desfluoro atorvastatin
50 mg
$ 250.00

Biosynth Carbosynth
Desfluoro atorvastatin
25 mg
$ 150.00

Biosynth Carbosynth
Desfluoro atorvastatin
10 mg
$ 80.00

Biosynth Carbosynth
Desfluoro atorvastatin
5 mg
$ 50.00

American Custom Chemicals Corporation
DESFLUORO ATORVASTATIN 95.00%
5MG
$ 500.42

Total 10 raw suppliers

Chemical Property of Desfluoroatorvastatin

Chemical Property:

Boiling Point:723.7±60.0 °C(Predicted)
PKA:4.29±0.10(Predicted)
PSA：115.28000
Density:1.20±0.1 g/cm3(Predicted)
LogP:6.55850
Storage Temp.:Hygroscopic, -20°C Freezer, Under inert atmosphere
Solubility.:DMSO (Slightly, Sonicated), Methanol (Slightly, Heated)
XLogP3:4.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:540.26242225
Heavy Atom Count:40
Complexity:788

Purity/Quality:

99%, ^*data from raw suppliers

Defluoro Atorvastatin Calcium Salt ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Isomeric SMILES:CC(C)C1=C(C(=C(N1CC[C@H](C[C@H](CC(=O)O)O)O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4
Uses Desfluoroatorvastatin is an impurity of Atorvastatin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastatin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglyceinhibitorrides in patients with hypercholesterolemia.

Technology Process of Desfluoroatorvastatin

There total 1 articles about Desfluoroatorvastatin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 1105067-91-1
tert-butyl (4R,6R)-6-{2-[2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxane-4-acetate

: 433289-84-0
(3R,5R)-3,5-dihydroxy-7-(2-isopropyl-4,5-diphenyl-3-phenylcarbamoyl-pyrrol-1-yl)-heptanoic acid

Guidance literature:: With hydrogenchloride; In tetrahydrofuran; at 25 ℃; for 6h;
DOI:10.1135/cccc20080229

Reference yield:

: 433289-84-0
(3R,5R)-3,5-dihydroxy-7-(2-isopropyl-4,5-diphenyl-3-phenylcarbamoyl-pyrrol-1-yl)-heptanoic acid

: calcium (3R,5R)-3,5-dihydroxy-7-[2-isopropyl-4,5-diphenyl-3-(phenylcarbamoyl)pyrrol-1-yl]heptanoate

Guidance literature:: (3R,5R)-3,5-dihydroxy-7-(2-isopropyl-4,5-diphenyl-3-phenylcarbamoyl-pyrrol-1-yl)-heptanoic acid; With sodium hydroxide; at 35 ℃; for 15h;

With calcium acetate; In ethyl acetate; Further stages.;
DOI:10.1135/cccc20080229