Atorvastatin Impurity 21

Basic Information

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CAS Number

125971-94-0

Molecular Formula

C14H23NO4

Molecular Weight

269.34 g/mol

EINECS

425-780-3

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

65-69 °C

Boiling Point

364.1℃ at 760 mmHg

Density

1.016

Flash Point

159.2℃

Refractive Index

1.439

SMILES

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CC1(OC(CC(O1)CC(=O)OC(C)(C)C)CC#N)C

InChI

InChI=1S/C14H23NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6,8-9H2,1-5H3/t10-,11-/m1/s1

InChIKey

DPNRMEJBKMQHMC-GHMZBOCLSA-N

LogP

2.54208

Complexity

375

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Storage Conditions

2-8°C

Synonyms & References

English

(4R,6R)-6-Cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetic Acid tert-Butyl Ester
((4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-[1,3]dioxan-4-yl)acetic acid tert-butyl ester
AM90282
1,3-Dioxane-4-acetic acid, 6-(cyanomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
(4r-cis)-1, 1-dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
UW4BC1SFB0
AKOS015836105
AC-6849
tert-Butyl 2-((4R,6R)-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
tert-Butyl2-(cis-6-(cyanomethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
I10007
(4R,6R)-t-Butyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
DTXSID60370195
NS00121092
SCHEMBL1261056
(4R,6R)-6-(Cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetic Acid 1,1-Dimethylethyl Ester
(+/-)-cis-1,1-dimethylethyl 6-(cyanomethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
(4R-cis)-1,1-dimethyethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
125971-94-0
DPNRMEJBKMQHMC-GHMZBOCLSA-N
(4R-cis)-1,1 dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
(4R-Cis)-1,1-Dimethylethyl-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
AC7715
AS-13571
B3642
Q-102783
(4R cis) 1,1-dimethylethyl 6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
tert-Butyl (3R,5R)-6-cyano-3,5-o-iso-propylidene-3,5-dihydroxyhexanoate
tert-Butyl (4R,6R)-6-cyanomethyl-2,2-dimethyl-1,3-dioxane-4-acetate
((4R,6R)-6-Cyanomethyl-2,2-dimethyl-[1,3]dioxan-4-yl)-acetic acid tert-butyl ester
(6R-Cyanomethyl-2,2-dimethyl-(1,3)dioxan-4R-yl)acetic acid tert-butyl ester

MDL Number

MFCD00103179

EC Number

425-780-3

Customs Code

2932999099

FAQ

What is Atorvastatin Impurity 21 (CAS: 125971-94-0)?

Atorvastatin Impurity 21 is a chemical compound identified as a specific impurity in the synthesis or degradation of atorvastatin, a cholesterol-lowering medication. It has the chemical formula C23H28O5 and is characterized by its structural similarity to atorvastatin, with variations in functional groups. This impurity is relevant in pharmaceutical quality control and regulatory compliance, as its presence must be monitored to ensure drug safety and efficacy.

What are the main uses of Atorvastatin Impurity 21 (CAS: 125971-94-0)?

Atorvastatin Impurity 21 is primarily used in pharmaceutical research and development for analyzing drug purity, stability studies, and method validation. It serves as a reference standard in analytical testing to detect trace impurities in atorvastatin formulations. Additionally, it is employed in understanding degradation pathways and ensuring adherence to regulatory guidelines such as ICH for drug manufacturing.

Is Atorvastatin Impurity 21 (CAS: 125971-94-0) safe?

Atorvastatin Impurity 21 is generally considered safe when handled properly, but its safety profile depends on exposure levels and application context. Limited toxicity data suggests it is less hazardous than the active drug atorvastatin, yet standard lab safety precautions should be followed, such as wearing gloves and ensuring adequate ventilation. Safety standards in pharmaceutical settings ensure its controlled use in quality assurance processes without compromising patient safety.

How should Atorvastatin Impurity 21 (CAS: 125971-94-0) be stored?

Atorvastatin Impurity 21 should be stored in a cool, dry place at 20-25°C, away from light and moisture. It requires airtight containers to maintain stability and prevent contamination. Proper storage conditions are crucial to ensure its shelf life and avoid degradation. Handling should follow guidelines to maintain chemical integrity, such as keeping it in a desiccator or sealed vial.