Atorvastatin Impurity 48

Basic Information

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CAS Number

125995-13-3

Molecular Formula

C14H27NO4

Molecular Weight

273.37 g/mol

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 Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

339.8°C at 760 mmHg

Flash Point

96.8℃

Refractive Index

1.454-1.456

Vapor Pressure

0.0±0.7 mmHg at 25°C

SMILES

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CC1(OC(CC(O1)CC(=O)OC(C)(C)C)CCN)C

InChI

InChI=1S/C14H27NO4/c1-13(2,3)19-12(16)9-11-8-10(6-7-15)17-14(4,5)18-11/h10-11H,6-9,15H2,1-5H3/t10-,11-/m1/s1

InChIKey

HWSHVKNLMBMKSR-GHMZBOCLSA-N

LogP

1.9771999999999996

Topological Polar Surface Area

70.78 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

309

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

Synonyms & References

English

[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]acetic acid tert-butyl ester
tert-Butyl 2-((4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl)acetate
HWSHVKNLMBMKSR-GHMZBOCLSA-N
1,3-Dioxane-4-aceticacid,6-(2-aminoethyl-2-13c)-2,2-dimethyl-,1,1-dimethylethyl ester,(4r-cis)-(9ci)
Tert-butyl 2-[(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
[(4R,6R)-6-(2-Amino-ethyl)-2,2-dimethyl-[1,3]dioxan-4-yl]-acetic acid tert-butyl ester
MFCD07369252
SCHEMBL916725
1,3-Dioxane-4-acetic acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
A805453
DS-10700
AM90285
(4R,6R)-t-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, (4R,6R)-
1,1-Dimethylethyl (4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
R3QE8JH2KS
(4R-cis)-1,1-dimethylethyl 6-(2-aminoethyl)- 2,2-dimethyl-1,3-dioxane-4-acetate
1,1-Dimethylethyl (4R-cis)-6-Aminoethyl-2,2-dimethyl-1,3-dioxane-4-acetate
(4R-Cis)-1,1-Dimethyl ethyl-6-amino ethyl-2,2-dimethyl-1,3-dioxane-4-acetate
(4R,6R)-tert-Butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
1,3-Dioxane-4-acetic acid, 6-(2-aminoethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R-cis)-
CS-W003388
(4R,6R)-t-butyl-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, AldrichCPR
1,1-Dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate, (4R-cis)-
(4R-cis)-1,1-dimethylethyl 6-(2-aminoethyl) -2,2-dimethyl-1,3-dioxane-4-acetate
tert-butyl [(4R,6R)-6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetate
(4r-cis)-1,1-dimethylethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
2-[(4R,6R)-6-(2-Aminoethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic Acid tert-Butyl Ester
B3702
(4R-cis)-1,1-dimethyethyl 6-(2-aminoethyl)-2,2-dimethyl-1,3-dioxane-4-acetate
(4R,CIS)-1,1-DIMETHYLETHYL-6-AMINOETHYL-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE

MDL Number

MFCD07369252

Customs Code

2932999099

FAQ

What is Atorvastatin Impurity 48 (CAS: 125995-13-3)?

Atorvastatin Impurity 48, with the CAS number 125995-13-3, is a chemical compound that arises as an impurity during the synthesis of atorvastatin, a widely used cholesterol-lowering medication. It is typically identified through analytical techniques such as HPLC and has a molecular formula of C22H28O6. This compound is characterized by its structural similarity to atorvastatin, with slight variations in the side chain or functional groups, and is often present in trace amounts in pharmaceutical preparations.

What are the main uses of Atorvastatin Impurity 48 (CAS: 125995-13-3)?

Atorvastatin Impurity 48 is primarily used in pharmaceutical research to identify and quantify impurities in atorvastatin production processes. It plays a crucial role in quality control and drug development, ensuring the purity and safety of the final medication. Additionally, it is used in analytical chemistry for method validation and in regulatory compliance assessments to meet pharmaceutical standards.

Is Atorvastatin Impurity 48 (CAS: 125995-13-3) safe?

Atorvastatin Impurity 48 is generally considered safe when handled according to standard laboratory protocols. However, as with any chemical compound, it should be treated with care to avoid direct contact or inhalation. Safety data sheets (SDS) recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. Its safety profile is evaluated based on its potential to affect human health and the environment, and it is subject to strict regulatory guidelines in pharmaceutical manufacturing.

How should Atorvastatin Impurity 48 (CAS: 125995-13-3) be stored?

Atorvastatin Impurity 48 should be stored in a cool, dry, and dark place, ideally at temperatures below 25°C. It is sensitive to moisture and light, so it should be kept in a sealed container with desiccant and away from direct sunlight. Proper storage ensures its stability and prevents degradation, which is essential for maintaining accuracy in analytical testing and pharmaceutical research.