(S)-N-(1-Azabicyclo(2.2.2)oct-3-yl)-2,4,5,6-tetrahydro-1H-benzo(de)isoquinolin-1-one hydrochloride

Base Information

• Chemical Name: (S)-N-(1-Azabicyclo(2.2.2)oct-3-yl)-2,4,5,6-tetrahydro-1H-benzo(de)isoquinolin-1-one hydrochloride
• CAS No.: 135729-55-4
• Molecular Formula: C19H23ClN2O
• Molecular Weight: 330.8517
• UNII: 866E0T17RQ
• DSSTox Substance ID: DTXSID20159504
• ChEMBL ID: CHEMBL544784
• Mol file: 135729-55-4.mol

Synonyms:(3H)-RS-42358-197;(S)-N-(1-azabicyclo(2.2.2)oct-3-yl)-2,4,5,6-tetrahydro-1H-benzo(de)isoquinolin-1-one hydrochloride;RS 42358-197;RS-42358-197

Chemical Property of (S)-N-(1-Azabicyclo(2.2.2)oct-3-yl)-2,4,5,6-tetrahydro-1H-benzo(de)isoquinolin-1-one hydrochloride

Chemical Property:

• Vapor Pressure: 1.47E-10mmHg at 25°C
• Boiling Point: 511°Cat760mmHg
• Flash Point: 238.9°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 330.1498911
• Heavy Atom Count: 23
• Complexity: 506

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C3C(=CN(C(=O)C3=CC=C2)C4CN5CCC4CC5)C1.Cl
• Isomeric SMILES: C1CC2=C3C(=CN(C(=O)C3=CC=C2)[C@@H]4CN5CCC4CC5)C1.Cl
• Use Description: 2-[(3S)-1-azabicyclo[2.2.2]oct-3-yl]-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one hydrochloride (1:1), a complex chemical compound, has significant applications primarily in the pharmaceutical field. It functions as a potential drug candidate and an important intermediate in the synthesis of medications. Its role is pivotal in the development of pharmaceuticals targeting various medical conditions, especially those related to the central nervous system and mental health. Researchers use it to create molecules with potential therapeutic properties, such as antipsychotic or analgesic medications. While its primary application is in drug development, its importance lies in contributing to the advancement of healthcare and the potential treatment of neurological and psychiatric disorders, playing a critical role in improving patient well-being and mental health outcomes.