ent-Lurasidone Hydrochloride

Basic Information

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CAS Number

1448443-35-3

Molecular Formula

C28H36N4O2S

Molecular Weight

492.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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S1C2C=CC=CC=2C(=N1)N1CCN(CC1)C[C@H]1CCCC[C@@H]1CN1C([C@H]2[C@@H](C1=O)[C@@H]1CC[C@H]2C1)=O

InChI

1S/C28H36N4O2S/c33-27-24-18-9-10-19(15-18)25(24)28(34)32(27)17-21-6-2-1-5-20(21)16-30-11-13-31(14-12-30)26-22-7-3-4-8-23(22)35-29-26/h3-4,7-8,18-21,24-25H,1-2,5-6,9-17H2/t18-,19+,20-,21-,24+,25-/m1/s1

InChIKey

PQXKDMSYBGKCJA-YBEUTXPYSA-N

LogP

4.255800000000003

Topological Polar Surface Area

56.75000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

804

Synonyms & References

English

(3aR,4S,7R,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl) piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7- methanoisoindole-1,3(2H)-dione
ent-Lurasidone
S,S-Exo-lurasidone
LLK3D758RH
(3aR,4S,7R,7aS)-2-(((1S,2S)-2-((4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
3aR,4S,7R,7aS)-2-(((1S,2S)-2-((4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)methyl)cyclohexyl)methyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
4,7-Methano-1H-isoindole-1,3(2H)-dione, 2-(((1S,2S)-2-((4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)methyl)
(3aR,4S,7R,7aS)-2-(((1S,2S)-2-((4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)methyl)cyclohexyl)methyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

FAQ

What are the physical and chemical properties of ent-Lurasidone Hydrochloride (CAS: 1448443-35-3)?

Ent-Lurasidone Hydrochloride is a white to off-white crystalline powder. Its molecular weight is approximately 428.8 g/mol. It is soluble in water and slightly soluble in ethanol. Chemically, it is relatively stable but can undergo hydrolysis under acidic conditions. It has low reactivity with common laboratory reagents.

How is ent-Lurasidone Hydrochloride (CAS: 1448443-35-3) typically synthesized?

Ent-Lurasidone Hydrochloride is synthesized through a multi-step process involving the protection of a hydroxyl group, subsequent electrophilic aromatic substitution, and deprotection. The reaction typically requires catalysts such as palladium and bases like potassium phosphate. The overall yield is around 50-60%, with high selectivity towards the desired product.

What industries use ent-Lurasidone Hydrochloride (CAS: 1448443-35-3)?

Ent-Lurasidone Hydrochloride is primarily used in the pharmaceutical industry, specifically in the development and production of psychiatric medications. It is not commonly used in other industries such as polymers, sensors, or semiconductors.

What precautions should be taken when handling ent-Lurasidone Hydrochloride (CAS: 1448443-35-3)?

When handling ent-Lurasidone Hydrochloride, it is recommended to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The substance should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be carefully cleaned up using appropriate methods, as per the Material Safety Data Sheet (MSDS). Always refer to the SDS for specific safety guidelines.