Atorvastatin Impurity 55

Basic Information

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CAS Number

141942-85-0

Molecular Formula

C7H11NO3

Molecular Weight

146.19 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 Nitriles

Basic Physical Properties

Boiling Point

270 °C

Density

1.114 g/mL at 25 °C

Refractive Index

n20/D 1.448(lit.)

Specific Rotation

-5 º (neat)

SMILES

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CCOC(=O)CC(CC#N)O

InChI

InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s1

InChIKey

LOQFROBMBSKWQY-ZCFIWIBFSA-N

LogP

0.7105000000000001

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

170

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

EC 430-220-6
(r)-(-)-ethyl4-cyano-3-hydroxybutyrate
LOQFROBMBSKWQY-ZCFIWIBFSA-N
(R)-4-CYANO-3-HYDROXY-BUTYRIC ACID ETHYL ESTER
ethyl (3R)-4-cyano-3-hydroxy-butanoate
(R)-Ethyl 4-cyano-3-hydroxybutyrate
ethyl (3R)-4-cyano-3-hydroxybutanoate
J-520478
141942-85-0
Q27452062
DS-1230
(R)-(-)-4-Cyano-3-hydroxybutyratic acid, ethyl ester
ETHYL (R)-4-CYANO-3-HYDROXYBUTANOATE
Ethyl(R)-(-)-4-cyano-3-hydroxybutyate
ETHYL(R)-4-CYANO-3-HYDROXYBUTANOATE
CS-W002591
ethyl (r)-(-)-4-cyano-3-hydroxy butyrate
(R)-4-cyano-3-hydroxybutyric acid, ethyl ester
BUTANOIC ACID, 4-CYANO-3-HYDROXY-, ETHYL ESTER, (3R)-
(3R)-4-Cyano-3-hydroxybutanoic Acid Ethyl Ester
AKOS015836108
1H1
ethyl (r)-4-cyano-3-hydroxybutyrate
Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate, 95%
ethyl (r)-4-cyano-3-hydroxy-butyrate
EN300-343392
(r)-ethyl 4-cyano-3-hydroxybutanoate
MFCD00270839
DTXSID10370024
(R)4-cyano-3-hydroxy butyric acid ethyl ester
Ethyl-(R)-(+)-4-Cyano-3-Hydroxybutanoate

MDL Number

MFCD00270839

Customs Code

2926909090

FAQ

What is Atorvastatin Impurity 55 (CAS: 141942-85-0)?

Atorvastatin Impurity 55 (CAS: 141942-85-0) is a chemical compound identified as an impurity in the synthesis of Atorvastatin, a widely prescribed cholesterol-lowering medication. It is classified as a metabolite or byproduct during pharmaceutical manufacturing. The compound’s molecular structure and properties are critical for quality control and regulatory compliance in drug development.

What are the main uses of Atorvastatin Impurity 55 (CAS: 141942-85-0)?

Atorvastatin Impurity 55 (CAS: 141942-85-0) is primarily used in pharmaceutical research to analyze impurity profiles in Atorvastatin production. It also aids in understanding metabolic pathways and ensuring drug purity. Additionally, it serves as a reference standard for analytical testing and regulatory documentation in the pharmaceutical industry.

Is Atorvastatin Impurity 55 (CAS: 141942-85-0) safe?

Atorvastatin Impurity 55 (CAS: 141942-85-0) is not intended for human use and is considered a controlled impurity in drug manufacturing. Safety handling requires adherence to standard chemical safety protocols, including use of protective gear. While toxicity data is limited, it should be managed under controlled conditions to prevent exposure during production and testing.

How should Atorvastatin Impurity 55 (CAS: 141942-85-0) be stored?

Atorvastatin Impurity 55 (CAS: 141942-85-0) should be stored in a cool, dry place away from light and moisture. It is recommended to keep it in a sealed, airtight container under an inert atmosphere (e.g., nitrogen) to maintain stability. Proper storage conditions are essential to prevent degradation and ensure compliance with pharmaceutical standards.