2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one | CAS No. 135729-56-5

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

Basic Information

CAS Number

135729-56-5

Molecular Formula

C19H22N2O

Molecular Weight

294.4 g/mol

AD

Basic Physical Properties

C1CC2=C3C(=CN(C(=O)C3=CC=C2)C4CN5CCC4CC5)C1

InChI

InChI=1S/C19H22N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,11,13,17H,1,3,5,7-10,12H2/t17-/m1/s1

InChIKey

DIDFYSQVOPVZQB-QGZVFWFLSA-N

LogP

2.756900000000001

Topological Polar Surface Area

25.240000000000002 Ų

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

506

Synonyms & References

English

  • 2-((3S)-1-AZABICYCLO(2.2.2)OCT-3-YL) 2,4,5,6-TETRAHYDRO-1H-BENZO(DE)ISOQUINOLIN-1-ONE, (+)-
  • (S)-2-(1-azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro-1H-benz[de]isoquinolin-1-one
  • DIDFYSQVOPVZQB-QGZVFWFLSA-N
  • Dehydro Palonosetron
  • CHEMBL1193388
  • 2-((3S)-1-Azabicyclo(2.2.2)oct-3-yl) 2,4,5,6-tetrahydro-1H-benzo(de)isoquinolin-1-one
  • HY-44132
  • 135729-56-5
  • AKOS015901526
  • 1H-BENZ(DE)ISOQUINOLIN-1-ONE, 2-(3S)-1-AZABICYCLO(2.2.2)OCT-3-YL-2,4,5,6-TETRAHYDRO-
  • UNII-29WVV1OJ05
  • Q27254450
  • CS-0103270
  • (S)-2-(1-azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro1H-benz[de]isoquinolin-1-one
  • 2-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-5,6-dihydro-4H-benzo[de]isoquinolin-1-one
  • SCHEMBL1160507
  • (S)-2-(Quinuclidin-3-yl)-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one
  • 29WVV1OJ05
  • Palonosetron
  • (S)-2-(1-Azabicyclo[2.2.2]oct-3-yl)-2,4,5,6-tetrahydro-1H-benz[de]isoquinolin-1-one
  • PALONOSTERON

FAQ

What is 2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one (CAS: 135729-56-5)?

2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one is a complex organic compound with a molecular structure that includes a benzo[de]isoquinoline core and a bicyclic amine side chain. It is a colorless solid with a distinctive chemical profile.

What are the main uses of 2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one (CAS: 135729-56-5)?

This compound is primarily used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It also finds applications in research for developing new chemical entities and as a potential therapeutic agent in certain medical conditions.

Is 2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one (CAS: 135729-56-5) safe?

Safety data for this compound indicates it is generally safe under appropriate handling conditions. However, it is important to follow safety guidelines, wear appropriate personal protective equipment (PPE), and handle it in a well-ventilated area. Consulting the Material Safety Data Sheet (MSDS) is recommended for detailed safety information.

How should 2-[(3S)-1-Azabicyclo[2.2.2]oct-3-yl]-2,4,5,6-tetrahydro-1H-benzo[de]isoquinolin-1-one (CAS: 135729-56-5) be stored?

This compound should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and contamination. Avoid storing it near incompatible materials and ensure proper labeling for easy identification and safety.

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