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Identification
Molecular formula
C22H22ClN3O
CAS number
111974-72-2
IUPAC name
4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one
State
State

At room temperature, the compound is in a solid state, generally as a stable powder.

Melting point (Celsius)
167.00
Melting point (Kelvin)
440.00
Boiling point (Celsius)
522.00
Boiling point (Kelvin)
795.00
General information
Molecular weight
364.89g/mol
Molar mass
364.8460g/mol
Density
1.3200g/cm3
Appearence

The compound is typically a powdery substance with a fine crystal or amorphous powder texture. The appearance can vary slightly based on specific crystallization details and the presence of any impurities.

Comment on solubility

Solubility of 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one

The solubility of 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one (C22H22ClN3O) is influenced by its complex structure and specific functional groups. Understanding its solubility characteristics is crucial for various applications. Here are some important aspects to consider:

  • Polarity: The presence of chlorine atoms and the azepane ring creates a balance of polar and non-polar regions, which impacts solubility in different solvents.
  • Solvent Type: It is likely to be more soluble in organic solvents such as methanol or acetone, while exhibiting lower solubility in water due to its hydrophobic sections.
  • Temperature Effect: Typically, increasing temperature can enhance solubility in organic solvents, making it easier to dissolve this compound.
  • Applications: Understanding solubility behavior is essential for its use in pharmaceutical formulations or chemical syntheses.

In summary, the solubility of this compound is a complex interplay of its structural attributes, where environmental factors play a pivotal role in determining its dissolvability. The multifaceted nature of chemicals like this one highlights the importance of understanding solubility in practical applications.

Interesting facts

Interesting Facts about 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one

This compound, known for its complex structure and functional versatility, belongs to a fascinating class of organic molecules. Here are some intriguing aspects:

  • Pharmacological Interest: The compound is often studied for its potential pharmaceutical applications. Its structural features suggest activity that could contribute to the development of novel therapeutic agents.
  • Multi-Functional Moiety: The presence of the 4-chlorophenyl group indicates potential biological activity, making it a subject of interest in drug design.
  • Azeapan Influence: The inclusion of the 1-methylazepan-4-yl unit is significant, as azepane-derived structures are known for their ability to interact with biological targets, particularly in the realm of neuropharmacology.
  • Phthalazin Derivative: As a phthalazin derivative, the compound may exhibit unique electronic properties that can affect its reactivity and interaction within biological systems.

As noted by researchers, “The rich chemistry of phthalazin derivatives continues to reveal exciting avenues for exploration in medicinal chemistry.”
The compound’s intricate design enables it to partake in various chemical reactions, contributing to the rich tapestry of organic synthesis pathways.

In summary, the study of 4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one not only underscores the importance of molecular architecture in drug design but also illustrates the continuous quest for innovative therapeutic solutions.

Synonyms
azelastine
58581-89-8
Azelastina
Azelastinum
4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one
Azelastinum [INN-Latin]
Azelastina [INN-Spanish]
4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1-one
4-(p-Chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1-(2H)-phthalazinone
Azelastine (INN)
(+-)-Azelastine
UNII-ZQI909440X
BRN 0900747
CHEBI:2950
HSDB 7991
ZQI909440X
CHEMBL639
NSC-758971
DTXSID6022638
Optilast
1(2H)-Phthalazinone,4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-
NSC 758971
AZELASTINE [INN]
Azelastinum (INN-Latin)
Azelastina (INN-Spanish)
Azelastine [INN:BAN]
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-
4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one
Optivar (TN)
rac-Azelastine
4-[(4-Chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1(2H)-phthalazinone;
758637-88-6
AZELASTINE [MI]
Spectrum2_000649
Spectrum3_001984
AZELASTINE [VANDF]
4-(p-chlorobenzyl)-2-(N-methylperhydroazepinyl-(4))-1-(2H)-phthalazinone
SCHEMBL4239
AZELASTINE [WHO-DD]
BSPBio_003584
4-((4-Chlorophenyl)methyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1(2H)-phthalazinone hydrochloride
SPBio_000657
DTXCID502638
GTPL7121
HY-B0462A
KBio3_002992
R01AC03
R06AX19
S01GX07
ALBB-022465
BCP14047
Tox21 111469
BDBM50341448
STL429828
4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one
AKOS015894880
DB00972
(+/-)-1-(2H)-phthalazinone, 4-
4-(p-chlorobenzyl)-2-(hexahydro-1-methyl-1H-azepin-4-yl)-1(2H)-phthalazinone
4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1h-azepin-4-yl)-1(2h)-phthalazinone
s12214
NCGC00177979-01
NCGC00177979-02
NCGC00177979-03
BS-32594
SBI-0206747.P001
DS-002751
NS00003187
C07768
D07483
AB00698544-09
AB00698544-11
AB00698544_12
AB00698544_13
EN300-7409356
L001153
Q419820
BRD-A68888262-003-02-9
BRD-A68888262-003-07-8
BRD-A68888262-003-15-1
BRD-A68888262-003-16-9
4-(p-Chlorobenzyl)-2-(N-methylperhydroazepin-4-yl)-1(2H)-phthalazinone
1(2H)-phthalazinone, 4-[(4-chlorophenyl)methyl]-2-(hexahydro-1-methyl-1H-azepin-4-yl)-, hydrochloride
1(2H)-phthalazinone,4-[(4-chlorophenyl)methyl]-2-[(4s)-hexahydro-1-methyl-1h-azepin-4-yl]-