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Cetirizine

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Identification
Molecular formula
C21H25ClN2O3
CAS number
83881-52-1
IUPAC name
1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
State
State

At room temperature, cetirizine is typically a solid. It can be formulated into tablets or solutions for medicinal purposes.

Melting point (Celsius)
136.50
Melting point (Kelvin)
409.65
Boiling point (Celsius)
689.90
Boiling point (Kelvin)
963.05
General information
Molecular weight
388.90g/mol
Molar mass
388.8990g/mol
Density
1.3540g/cm3
Appearence

Cetirizine is typically found in the form of a colorless, crystalline substance. It is often supplied as tablets or in liquid form for medical use.

Comment on solubility

Solubility of 1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one (C21H25ClN2O3)

The solubility of a compound is a fundamental property that influences its behavior in various environments, especially in biological and chemical systems. For 1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one, several factors can affect its solubility:

  • Polarity: The presence of functional groups, such as the piperazine moiety, suggests that this compound might exhibit moderate polarity, which can enhance solubility in polar solvents.
  • Solvent Interaction: This compound may show variable solubility in different solvents:
    • High solubility in water: Due to potential hydrogen bonding capabilities.
    • Enhanced solubility in organic solvents: Such as DMSO or ethanol, often favorable for pharmaceutical compounds.
  • pH Influence: Like many other compounds, solubility may change with pH:
    • Acidic environments could potentially increase solubility by protonation of basic sites.
    • Basic conditions may decrease solubility, leading to precipitation of the compound.

In summary, while the exact solubility of 1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one in water or organic solvents can vary, its structure indicates potential for moderate solubility. It’s essential to consider both chemical structure and environmental factors to fully understand and predict its solubility characteristics.

Interesting facts

Interesting Facts about 1-Methyl-10-[2-(4-Methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

This compound, often referred to as a benzodiazepine derivative, presents a fascinating subject of study within the realm of medicinal chemistry. It belongs to a class of compounds renowned for their diverse pharmacological effects, primarily used in the treatment of anxiety disorders, insomnia, and other central nervous system conditions.

Key Features:

  • Structural Complexity: The structure of this compound is characterized by a thieno[3,4-b][1,5]benzodiazepine backbone, imparting unique chemical properties and biological activities.
  • Potential Applications: Its piperazine substituent suggests possible enhancements in binding affinity to various neurotransmitter receptors, making it a candidate for research in anxiolytic and sedative therapies.
  • Synthetic Pathways: The synthesis of such intricate structures often involves multi-step reactions, showcasing the creativity and skill required in synthetic organic chemistry.
  • Research Interest: Many researchers focus on derivatives of benzodiazepines to reduce side effects while maintaining therapeutic efficacy. This could lead to new medications with improved safety profiles.

As noted by many in the field, "The challenge lies not just in creating new compounds, but in understanding their interactions at the molecular level." Studying compounds like this offers not just academic intrigue but also the promise of real-world applications in improving mental health treatments.

Understanding this compound and its relatives provides valuable insight into drug design, safety, and efficacy. It is a testament to the importance of chemistry in shaping future therapeutics.

Synonyms
Telenzepine
80880-90-6
Telenzepine [INN]
1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
TELENZEPINE 2HCL
Telenzepine hydrochloride
DTXSID5045209
0990EG3K10
NSC-758679
4,9-Dihydro-3-methyl-4-((4-methyl-1-piperazinyl)acetyl)-10H-thieno(3,4-b)(1,5)benzodiazepin-10-one
(+/-)-Telenzepine
NCGC00015987-05
Telenzepinum [Latin]
DTXCID3025209
Telenzepino [Spanish]
Telenzepino
Telenzepinum
3-Methyl-4-(2-(4-methylpiperazin-1-yl)acetyl)-4,9-dihydro-10H-benzo[b]thieno[3,4-e][1,4]diazepin-10-one
CAS-80880-90-6
[3H](+)telenzepine
Telenzepina
UNII-0990EG3K10
()-Telenzepine
Tocris-1122
Lopac-T-122
TELENZEPINE [MI]
Telenzepine dihydrochloide
Prestwick0_000303
Prestwick1_000303
Prestwick2_000303
Prestwick3_000303
Spectrum3_001839
TELENZEPINE [MART.]
Lopac0_001204
SCHEMBL49345
BSPBio_000266
BSPBio_003517
TELENZEPINE [WHO-DD]
MLS000069348
SPBio_002485
BPBio1_000294
CHEMBL253978
GTPL8594
BDBM82376
CHEBI:92110
KBio3_003022
VSWPGAIWKHPTKX-UHFFFAOYSA-N
HMS2089M03
HMS2235P06
HMS3374A10
HY-B1789
NSC_5387
Tox21 110274
Tox21_110274
AKOS040749627
Tox21_110274_1
CCG-205278
NSC 758679
SDCCGSBI-0051171.P003
NCGC00015987-01
NCGC00015987-02
NCGC00015987-03
NCGC00015987-04
NCGC00015987-06
NCGC00015987-07
NCGC00015987-09
NCGC00015987-12
NCGC00025013-01
NCGC00025013-02
NCGC00025013-03
3-methyl-4-[(4-methylpiperazin-1-yl)acetyl]-4,9-dihydro-10h-thieno[3,4-b][1,5]benzodiazepin-10-one
DA-68027
SMR000058848
SBI-0051171.P002
CAS_80880-90-6
CAS-147416-96-4
CS-0013821
NS00126114
L001013
Q7696413
BRD-K06147391-003-01-9
BRD-K06147391-003-03-5
BRD-K06147391-300-03-5
BRD-K06147391-300-04-3
BRD-K06147391-300-06-8
10H-THIENO(3,4-B)(1,5)BENZODIAZEPIN-10-ONE, 4,9-DIHYDRO-3-METHYL-4-(2-(4-METHYL-1-PIPERAZINYL)ACETYL)-
3-methyl-4-(2-(4-methylpiperazin-1-yl)acetyl)-4H-benzo[b]thieno[3,4-e][1,4]diazepin-10(9H)-one
4,9-DIHYDRO-3-METHYL-4-(2-(4-METHYL-1-PIPERAZINYL)ACETYL)-10H-THIENO(3,4-B)(1,5)BENZODIAZEPIN-10-ONE