ent S-(+)-Atomoxetine Hydrochloride

Basic Information

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CAS Number

82857-39-4

Molecular Formula

C17H22ClNO

Molecular Weight

291.82 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

162-163 ºC

SMILES

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CNCC[C@@H](c1ccccc1)Oc1ccccc1C.Cl

InChI

InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H/t17-;/m0./s1

InChIKey

LUCXVPAZUDVVBT-LMOVPXPDSA-N

LogP

4.1464200000000035

Topological Polar Surface Area

21.259999999999998 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Synonyms & References

English

Atomoxetine S-Isomer
ent S-(+)-Atomoxetine Hydrochloride
(3S)-N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine,hydrochloride
(S)-N-Methyl-γ-(2-methylphenoxy)benzenepropanamine hydrochloride
(S)-Tomoxetine hydrochloride
(S)-(+)-Tomoxetine hydrochloride
LY 139602

MDL Number

MFCD11035876

FAQ

What are the physical and chemical properties of ent S-(+)-Atomoxetine Hydrochloride (CAS: 82857-39-4)?

ent S-(+)-Atomoxetine Hydrochloride is a crystalline compound with a molecular weight of approximately 278.86 g/mol. It is freely soluble in water and has a solubility of 55 mg/mL at 25°C. The compound exhibits low reactivity under normal conditions but can be sensitive to strong acids and bases. It is stable in air and light but should be stored in a closed container to prevent degradation.

How is ent S-(+)-Atomoxetine Hydrochloride (CAS: 82857-39-4) typically synthesized?

ent S-(+)-Atomoxetine Hydrochloride is synthesized via a multistep process involving the use of chiral auxiliary, asymmetric synthesis, and hydrochloric acid. The key steps involve the formation of a chiral intermediate, followed by an enantioselective reduction and hydrochloride formation. The process yields a high enantiomeric excess and good overall yield, typically around 70-80%.

What industries use ent S-(+)-Atomoxetine Hydrochloride (CAS: 82857-39-4)?

ent S-(+)-Atomoxetine Hydrochloride is primarily used in the pharmaceutical industry as an active pharmaceutical ingredient for treating attention deficit hyperactivity disorder (ADHD) and narcolepsy. It is also used in research for studying the effects of selective norepinephrine reuptake inhibitors. While it has potential applications in other fields, its main use is in the development and production of medications.

What precautions should be taken when handling ent S-(+)-Atomoxetine Hydrochloride (CAS: 82857-39-4)?

When handling ent S-(+)-Atomoxetine Hydrochloride, it is crucial to use personal protective equipment (PPE), including gloves, safety glasses, and a lab coat. It should be stored in a cool, dry place away from direct sunlight and heat sources. In case of a spill, it should be cleaned up using appropriate absorbent materials and disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.