 Home > Encyclopedia > 1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate structure

CAS No:
163217-68-3
Formula:
C47H53FN2O6
Chemical Name:
1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
Synonyms:
1,3-Dioxane-4-acetic acid,6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-,1,1-dimethylethyl ester,(4R,6R)-;1,3-Dioxane-4-acetic acid,6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-,1,1-dimethylethyl ester,(4R-cis)-;1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate;(4R-cis)-1,1-Dimethylethyl 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(4-benzyloxyphenyl)carbonyl]-1H-pyrrol-1-yl]-ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

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Description

White Solid

1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate Basic Attributes

Molecular Weight：

760.9319232

Exact Mass：

760.93

DSSTox ID：

DTXSID50442310

Characteristics

PSA：

XLogP3：

9.3

Density：

1.15±0.1 g/cm3(Predicted)

Boiling Point：

767.4±60.0 °C(Predicted)

Flash Point：

417.895ºC

Refractive Index：

1.574

Vapor Pressure：

0mmHg at 25°C

1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate Use and Manufacturing

An intermediate of the metabolite of Atorvastin, a selective, competitive HMG-CoA reductase inhibitor.Atorvastin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.

Computed Properties

Molecular Weight:760.9
XLogP3:9.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:15
Exact Mass:760.38876558
Monoisotopic Mass:760.38876558
Topological Polar Surface Area:88
Heavy Atom Count:56
Complexity:1230
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Description
Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[[[4-(phenylmethoxy)phenyl]amino]carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

SDS

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