5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one methanesulfonate trihydrate | CAS No. 199191-69-0

5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one methanesulfonate trihydrate

Basic Information

CAS Number

199191-69-0

Molecular Formula

C22H31ClN4O7S2

Molecular Weight

563.1 g/mol

AD

Basic Physical Properties

CS(=O)(=O)O.C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.O.O

InChI

InChI=1S/C21H21ClN4OS.CH4O3S.3H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;1-5(2,3)4;;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H3,(H,2,3,4);3*1H2

InChIKey

WLQZEFFFIUHSJB-UHFFFAOYSA-N

LogP

0.8388999999999998

Topological Polar Surface Area

197.34 Ų

Hydrogen Bond Donor/Acceptor

8 / 11

Complexity

665

Synonyms & References

English

  • Ziprasidone (mesylate trihydrate)
  • Ziprasidone mesilate trihydrate
  • CP-88,059-27
  • Ziprasidone mesilate
  • CP-8805927
  • CP-88059-27
  • ZIPRASIDONE MESILATE TRIHYDRATE [EP MONOGRAPH]
  • CHEBI:53757
  • BZ164581
  • Ziprasidone mesylate trihydrate
  • ZIPRASIDONE MESYLATE [ORANGE BOOK]
  • Ziprasidone (mesylate hydrate)
  • CP88059
  • ZIPRASIDONE MESILATE (MART.)
  • CHEMBL3989833
  • Geodon (TN)
  • Geodon, for Injection
  • ZIPRASIDONE MESYLATE [VANDF]
  • 3X6SAX83JZ
  • HY-14542B
  • AKOS027379883
  • A814073
  • 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloro-1,3-dihydroindol-2-one;methanesulfonic acid;trihydrate
  • 5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-6-chloranyl-1,3-dihydroindol-2-one; methanesulfonic acid; trihydrate
  • 5-(2-(4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-2-indolinone monomethanesulfonate, trihydrate
  • 2H-Indol-2-one, 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-, monomethanesulfonate, trihydrate
  • 199191-69-0
  • Ziprasidone mesylate
  • BCP12408
  • Q27124195
  • Geodon

MDL Number

MFCD09838920

FAQ

What are the physical and chemical properties of 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one methanesulfonate trihydrate (CAS: 199191-69-0)?

5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one methanesulfonate trihydrate is a crystalline solid with a molecular weight of approximately 605.83 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol. The compound shows moderate reactivity towards bases and is stable under acidic conditions. It exhibits good stability under normal temperature and pressure conditions.

How is 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one methanesulfonate trihydrate (CAS: 199191-69-0) typically synthesized?

This compound is typically synthesized via multi-step organic reactions involving the coupling of piperazine derivatives with benzo[d]isothiazol-3-yl moieties. The synthesis involves the use of an appropriate catalyst and proceeds with high selectivity, yielding up to 90% of the desired product. The process requires careful temperature control and an inert atmosphere to prevent unwanted side reactions.

What industries use 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one methanesulfonate trihydrate (CAS: 199191-69-0)?

This compound is primarily used in the pharmaceutical industry for its potential in developing new drug candidates. It also has applications in the sensor and semiconductor industries, where its specific chemical properties make it suitable for specialized sensing devices and electronic components. Additionally, it may be used in polymer chemistry for the development of novel materials.

What precautions should be taken when handling 5-(2-(4-(Benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)-6-chloroindolin-2-one methanesulfonate trihydrate (CAS: 199191-69-0)?

Handling this compound requires the use of appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated hood to avoid inhalation. Spills should be managed using appropriate absorbent materials and disposed of according to hazardous waste regulations. The Safety Data Sheet (SDS) for this compound should be consulted for detailed handling and storage information.

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