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Cloperastine

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Identification
Molecular formula
C28H32N2O3S
CAS number
3703-76-2
IUPAC name
3-(4-benzyl-1-piperidyl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one
State
State

At room temperature, Cloperastine is in a solid state, typically in crystalline powder form.

Melting point (Celsius)
119.00
Melting point (Kelvin)
392.15
Boiling point (Celsius)
234.00
Boiling point (Kelvin)
507.15
General information
Molecular weight
476.64g/mol
Molar mass
543.0400g/mol
Density
1.1850g/cm3
Appearence

Cloperastine is typically a white crystalline powder when in its pure form.

Comment on solubility

Solubility of 3-(4-benzyl-1-piperidyl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one (C28H32N2O3S)

The solubility of a compound like 3-(4-benzyl-1-piperidyl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one can be quite complex due to its intricate structure. This compound, characterized by multiple functional groups and a sizable molecular weight, presents various solubility properties that can be influenced by several factors. Here are key points regarding its solubility:

  • Polarity: The presence of polar functional groups such as the methoxy and the piperidine moiety enhances the compound's interaction with polar solvents, increasing its solubility in such media.
  • Solvent Types: It may exhibit good solubility in:
    • Alcohols (e.g., ethanol, methanol)
    • Aqueous solutions (to some extent, depending on pH)
    • Organic solvents (like DMSO, dimethylformamide)
  • Crystallization: The solid-state form of the compound can also affect solubility. Variations in crystalline form can lead to differences in how readily it dissolves in various solvents.
  • Influence of Temperature: Generally, increased temperatures can enhance solubility, making it more soluble in warmer conditions.

In conclusion, while some solubility guidelines can be generalized, the intrinsic nature of 3-(4-benzyl-1-piperidyl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one necessitates detailed experimental investigation to determine its exact solubility parameters in different solvents. Continuous research may reveal more about its behavior in various environments.

Interesting facts

Interesting Facts about 3-(4-benzyl-1-piperidyl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one

The compound 3-(4-benzyl-1-piperidyl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one, known for its intricate structure and potential pharmacological applications, captivates the attention of chemists and pharmacologists alike. Here are some interesting facts about this compound:

  • Complex Structure: This compound showcases a unique assembly of a piperidine ring and a benzothiazepine moiety, highlighting the intricate relationship between structure and biological activity.
  • Potential Therapeutic Uses: Research suggests that derivatives of benzothiazepines exhibit promising activities, including anti-anxiety, antitumor, and antipsychotic effects, making this compound a candidate for further investigation in medicinal chemistry.
  • Natural Inspiration: Compounds similar to benzothiazepines can be found in nature, and their synthesis in a laboratory setting allows scientists to explore new drug leads that might not be readily available from natural sources.
  • Friendly Chemistry: The functionality of methoxy groups and aromatic systems in this compound enhances *lipophilicity*, a critical property that can influence its bioavailability and transport in biological systems.
  • Multifunctionality: The benzyl group on the piperidine ring can interact with various biological targets, which may lead to multifaceted interactions within biological systems.

"Just as a single change in a recipe can yield a vastly different dish, so too can modifications in chemical structure lead to profoundly different biological outcomes." - A common sentiment among medicinal chemists.

This compound's rich chemical structure and potential applications make it a fascinating subject for ongoing research, particularly in the quest for new therapeutic agents.

Synonyms
K201 free base
145903-06-6
JTV-519
Jtv-519 free base
JTV-519 (free base)
JTV519 Hemifumarate
EBY0ENK2GQ
3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one
JTV 519
K201
K201 (free base)
JTV519 FREE BASE
K 201 FREE BASE
K-201 FREE BASE
JTV 519 FREE BASE
DTXSID60163201
4-[3-{1-(4-benzyl)piperodinyl}propionyl]-7-methoxy-2,3,4,5-tertrahydro-1,4-benzothiazepine
1-Propanone, 1-(2,3-dihydro-7-methoxy-1,4-benzothiazepin-4(5H)-yl)-3-[4-(phenylmethyl)-1-piperidinyl]-
1,4-BENZOTHIAZEPINE, 2,3,4,5-TETRAHYDRO-7-METHOXY-4-(1-OXO-3-(4-(PHENYLMETHYL)-1-PIPERIDINYL)PROPYL)-
1-PROPANONE, 1-(2,3-DIHYDRO-7-METHOXY-1,4-BENZOTHIAZEPIN-4(5H)-YL)-3-(4-(PHENYLMETHYL)-1-PIPERIDINYL)-
3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-2,3-dihydrobenzo[f][1,4]thiazepin-4(5H)-yl)propan-1-one
4-(3-(1-(4-BENZYL)PIPERIDINYL)PROPIONYL)-7-METHOXY-2,3,4,5-TETRAHYDRO-1,4-BENZOTHIAZEPINE
UNII-EBY0ENK2GQ
SCHEMBL192924
CHEMBL1233797
DTXCID2085692
TQR0296
BCP17477
VFA90306
HY-15293A
AKOS040733508
DB02929
NCGC00384450-03
NCGC00384450-06
DB-063632
CS-0020906
NS00068350
Q27093913
JTV519 pound>>JTV 519 pound>>K201;K-201;K 201
4-[3-(4-benzylpiperidin-1-yl)propanoyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine
3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepin-4-yl)propan-1-one
4-[3-(4-Benzylpiperidin-1-yl)propionyl]-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine, analytical standard