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Clopenthixol

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Identification
Molecular formula
C18H18ClNS
CAS number
126-37-6
IUPAC name
13-chloro-2-(1-methyl-4-piperidylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
State
State

At room temperature, Clopenthixol is usually in a solid state. It is stable under normal conditions and does not vaporize or sublimate easily. As a solid, it is often handled in a powder form for medicinal manufacturing processes.

Melting point (Celsius)
90.20
Melting point (Kelvin)
363.35
Boiling point (Celsius)
392.15
Boiling point (Kelvin)
665.30
General information
Molecular weight
377.93g/mol
Molar mass
377.9250g/mol
Density
1.2000g/cm3
Appearence

Clopenthixol is typically available as a yellowish crystalline powder. It can also appear in the form of tablets if formulated for pharmaceutical use. The color and crystalline nature are characteristic of many organic compounds that contain ring structures and halogen substitutions.

Comment on solubility

Solubility Characteristics of 13-chloro-2-(1-methyl-4-piperidylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

The solubility of the complex compound 13-chloro-2-(1-methyl-4-piperidylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene can be influenced by various factors. Understanding its solubility is vital, as it affects applications in pharmaceuticals and materials science.

Factors Influencing Solubility

  • Polarity of the Compound: Due to the presence of chlorine and nitrogen atoms, the compound may exhibit varying degrees of polarity.
  • Functional Groups: The piperidine moiety can contribute to hydrogen bonding, enhancing solubility in polar solvents.
  • Temperature: Solubility generally increases with temperature; thus, studying the solubility behavior across a range of temperatures is essential.
  • pH of the Solution: The ionization of the nitrogen atoms can change with pH, impacting solubility in aqueous environments.

In general, compounds with similar structural motifs tend to exhibit modest to limited solubility in water but might show better solubility in organic solvents such as chloroform or DMSO. It is often stated that “like dissolves like,” so molecular interactions play a significant role in determining solubility profiles.

Practical Considerations

For laboratory applications and formulations, it's crucial to assess the solubility of this compound under various conditions. Some practical considerations may include:

  • Conducting solubility tests in different solvents.
  • Evaluating the effect of stirring and sonication on solubility levels.
  • Utilizing temperature control to gauge thermal effects on solubility.

In summary, while the solubility of 13-chloro-2-(1-methyl-4-piperidylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene may not be straightforward, it presents an intriguing area for exploration, driven by its unique chemical structure and potential applications.

Interesting facts

Interesting Facts About 13-Chloro-2-(1-methyl-4-piperidylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

This intriguing compound, known for its complex structure and unique properties, has captured the interest of researchers in the field of chemistry. Its intricate arrangement of atoms results in notable characteristics that make it a subject of study for various applications.

Structural Insights

The multilayered architecture of this compound features:

  • Chlorine substitution: The presence of chlorine plays a pivotal role in influencing the reactivity and stabilization of the compound.
  • Piperidine ring: The 1-methyl-4-piperidylidene moiety introduces a basic amine functionality, contributing to potential biological activity.
  • Tricyclic framework: The azatricyclo core demonstrates fascinating stereoelectronic properties that can affect its interaction with other molecules.

Applications and Significance

Compounds similar to this one are often investigated for their:

  • Pharmaceutical potential: Many structurally complex compounds like this one have been known to exhibit significant biological activities, including antimicrobial and anti-inflammatory effects.
  • Material sciences: The unique properties stemming from its rigidity and structural features may lend itself to studies in the development of new materials.

Quotable Facts

As one research paper notes, “the diverse functionality of multi-cyclic compounds expands the horizon for innovation in drug development.” These observations underscore the importance of studying compounds that may at first glance seem intricate but offer profound opportunities in scientific discovery.

The combination of its unique functional groups and complex structure positions 13-chloro-2-(1-methyl-4-piperidylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene as a remarkable subject within organic chemistry, inviting further exploration and research across multiple scientific disciplines.

Synonyms
N-Methyldesloratadine
8-chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Loratadine impurity G [EP]
UNII-70V8053T5G
70V8053T5G
DTXSID40191502
8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo(5,6)cyclohepta(1,2-b)pyridine
5H-Benzo(5,6)cyclohepta(1,2-b)pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-
LORATADINE IMPURITY G [EP IMPURITY]
LORATADINE IMPURITY G (EP IMPURITY)
5H-Benzo[5,6]cyclohepta[1,2-b]pyridine, 8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-
Loratadine impurity G
RefChem:163816
DTXCID10113993
641-012-1
923-094-3
38092-89-6
8-Chloroazatadine
N-Methyl Desloratadine
8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
Loratadine EP Impurity G
MFCD06411084
CHEMBL420316
8-Chloro azatadine
8-chloro-11-(1-methylpiperidin-4-ylidene)-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine
13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Loratadine Imp. G (EP); Loratadine USP Related Compound B; Loratadine USP RC B; 8-Chloro-11-(1-methylpiperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine; Loratadine Related Compound B; Loratadine Impurity G
SCHEMBL4460572
SCHEMBL29626502
SCHEMBL31384618
BCP31809
BDBM50031228
STL481882
AKOS005216035
DS-7427
FM25484
8-Chloro-6,11-dihydro-11-(1-methyl-4-piperidylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
AC-26333
SY110869
DB-002621
CS-0151108
LORATADINE EP IMPURITY G (USP RC B)
092C896
Q27265894
N-Methyl Desloratadine;8-Chloroazatadine;N-Methyldesloratadine
13-chloro-2-(1-methyl-4-piperidylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
13-chloro-2-(1-methylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.0^{3,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
8-Chloro-11-[(n-methyl)-4-piperidylidene]-6,11-dihydro-5h-benzo [5,6] cyclohepta[1,2b]pyridine
8-chloro-6,11-dihydro- 11-(1-methyl-4-piperidinylidene)-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
8-chloro-6,11-dihydro-11-(1-methyl-4-piperidinylidene)-5H-benzo-[5,6]-cyclohepta-[1,2-b]-pyridine