Atomoxetine Impurity 19 (R-Isomer)

Basic Information

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CAS Number

100306-33-0

Molecular Formula

C9H11ClO

Molecular Weight

170.64 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

57.0 to 61.0 deg-C

Specific Rotation

26 º (c=1, chloroform)

SMILES

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O[C@H](CCCl)c1ccccc1

InChI

InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1

InChIKey

JZFUHAGLMZWKTF-SECBINFHSA-N

LogP

2.3489000000000004

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

99.7

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

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

(R)-3-Chloro-1-phenylpropan-1-ol
pseudocumene-5-sulfonicacid
2,4,5-TRIMETHYLBENZENSULFONIC ACID
2,4,5-TRIMETHYLBENZENESULFONIC ACID
1,2,4-Trimethyl-5-benzenesulfonic acid
Benzenesulfonic acid, 2,4,5-triMethyl-
NSC 163978
(R)-(+)-3-Chloro-1-phenyl-1-propanol
(1R)-3-Chloro-1-phenyl-propan-1-ol
(R )-(+)-3-chloro-1-phenylpropanol
R(+)-ALPHA-(2-CHLOROETHYL)BENZYL ALCOHOL
(1R)-3-chloro-1-phenylpropan-1-ol
(R)-(+)-α-(2-Chloroethyl)benzyl Alcohol
)-(+)-3-Chloro-1-phenyl-1-propanol
(R)-(+)-3-Chloro-1-phenylpropanol
(R)-3-chloro-1-phenylpropan-1-ol

MDL Number

MFCD00075128

Customs Code

2906299090

FAQ

What is Atomoxetine Impurity 19 (CAS: 100306-33-0)?

Atomoxetine Impurity 19, also known as the R-Isomer of atomoxetine, is a chemical compound that arises as a byproduct during the synthesis of atomoxetine, a selective norepinephrine reuptake inhibitor (SNRI) used in ADHD treatment. Its chemical formula is C10H15NO2, and it is typically a solid at room temperature with a molecular weight of 177.23 g/mol. It is important in pharmaceutical quality control as it can affect the purity and efficacy of the final drug product.

What are the main uses of Atomoxetine Impurity 19 (CAS: 100306-33-0)?

Atomoxetine Impurity 19 is primarily used in the pharmaceutical industry for impurity profiling and quality assurance of atomoxetine-based medications. It helps in ensuring the safety and effectiveness of the drug by identifying and quantifying potential contaminants during production and testing. This impurity is also relevant in research for studying the pharmacokinetics and metabolism of atomoxetine and its enantiomers.

Is Atomoxetine Impurity 19 (CAS: 100306-33-0) safe?

Atomoxetine Impurity 19 is generally considered safe when handled according to standard laboratory practices, but it should be treated with care due to its potential chemical reactivity. Safety data suggests that it is not toxic in typical exposure scenarios, though proper protective equipment, such as gloves and goggles, is recommended. It is important to follow safety guidelines to ensure safe handling and minimize health risks.

How should Atomoxetine Impurity 19 (CAS: 100306-33-0) be stored?

Atomoxetine Impurity 19 should be stored in a cool, dry, and well-ventilated place, away from direct light and moisture. It is best kept in a sealed, airtight container at a temperature below 25°C. Proper storage is essential to maintain its chemical stability and prevent degradation. Avoid exposure to heat and humidity to ensure long-term preservation.