Name: (6-{2-[3-(4-Phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester
Brand: TRC
SKU: TRC-P319587

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Product Overview

Product Code

TRC-P319587

CAS Number

265989-34-2

Product Format

Neat

Molecular Formula

C40H42D5FN2O5

Molecular Weight

659.84

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

125971-95-1

Product Information

Analyte Name

(6-(2-[3-(4-Phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl)-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester

CAS Number

265989-34-2

Molecular Formula

C40H42D5FN2O5

Molecular Weight

659.84

Accurate Mass

659.3783

SMILES

[2H]c1c([2H])c([2H])c(c([2H])c1[2H])c2c(C(=O)Nc3ccccc3)c(C(C)C)n(CCC4CC(CC(=O)OC(C)(C)C)OC(C)(C)O4)c2c5ccc(F)cc5

InChI

InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/i8D,10D,11D,14D,15D

IUPAC

tert-butyl 2-[6-[2-[2-(4-fluorophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

Unlabelled CAS Number

125971-95-1

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled; API

Product Format

Neat

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

References: Kearney, A.S., et al.: Pharm. Res., 10, 1461 (1993), Heinonen, T.M., et al.: Clin. Ther., 18. 853 (1996), Whitfield, L.R., et al.: Eur. J. Drug Metab. Pharmacokinet., 25, 97 (2000)

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(6-{2-[3-(4-Phenylcarbamoyl)-5-(4-fluoro-phenyl)-2-isopropyl-4-phenyl-d5-pyrrol-1-yl]-ethyl}-2,2-dimethyl-[1,3]-dioxane-4-yl)-acetic Acid, tert-Butyl Ester

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