(1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione | CAS No. 367514-87-2

(1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione

Basic Information

CAS Number

367514-87-2

Molecular Formula

C28H36N4O2S

Molecular Weight

492.69 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

147-150°C

Specific Rotation

-16.4° (c=1, DMF)

O=C1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2C(=O)N1C[C@@H]4CCCC[C@H]4CN5CCN(CC5)c6nsc7ccccc67

InChI

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-/m0/s1

InChIKey

PQXKDMSYBGKCJA-CVTJIBDQSA-N

LogP

4.255800000000004

Topological Polar Surface Area

56.75000000000001 Ų

Hydrogen Bond Donor/Acceptor

0 / 6

Safety Information

View Safety Information

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

Synonyms & References

English

  • Lurasidone
  • (3aR,4S,7R,7aS)-2-[[(1R,2R)-2-[[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]methyl]cyclohexyl]methyl]hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione
  • (3aR,4S,7R,7aS)-2-((1R,2R)-2-(4-(1,2-Benzothiazol-3-yl)piperazin-1-ylmethyl)cyclohexylmethyl)hexahydro-4,7-methano-2H-isoindole-1,3-dione
  • (3aR,4S,7R,7aS)-2-{[(1R,2R)-2-{[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]methyl}cyclohexyl]methyl}hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

MDL Number

MFCD14635357

FAQ

What regulatory guidelines apply to (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 367514-87-2)?

The compound (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 367514-87-2) is subject to various regulatory guidelines, including REACH regulations for its safety and environmental impact. It may also require GHS classification based on its properties, such as potential toxicity or flammability. Additionally, FDA/EPA may have specific requirements for its use in pharmaceuticals or industrial applications, respectively.

Are there alternatives to (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 367514-87-2) in synthesis?

In synthesis, there are several alternatives to (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 367514-87-2). These include the use of related isomers and analogs, such as (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3-dione, as well as alternative reagents like other azatricyclic compounds with similar functional groups.

What is the market or research trend for (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 367514-87-2)?

The market for (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 367514-87-2) is currently focused on its potential applications in pharmaceuticals and research. There is increasing interest in the development of novel compounds with similar structural features for use in drug discovery and development. Research trends indicate a growing focus on the synthesis and evaluation of isomers and analogs for improved efficacy and safety.

How should waste containing (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 367514-87-2) be handled?

Waste containing (1R,2S,6R,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione (CAS: 367514-87-2) should be collected in appropriate containers and stored in a secure, well-ventilated area. For disposal, it is recommended to use professional waste disposal services that specialize in hazardous chemicals. Environmental protection precautions should include ensuring proper containment to prevent accidental spills or leaks. Additionally, incineration may be a suitable method for disposing of the waste, provided it is conducted in an environmentally compliant manner.

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