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Etazolate

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Identification
Molecular formula
C22H26N2O2
CAS number
51044-37-6
IUPAC name
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
State
State
At room temperature, etazolate is in a solid state. It is stable under normal conditions and should be handled with care to maintain its structure and properties.
Melting point (Celsius)
172.00
Melting point (Kelvin)
445.15
Boiling point (Celsius)
650.00
Boiling point (Kelvin)
923.15
General information
Molecular weight
383.46g/mol
Molar mass
383.5200g/mol
Density
1.3243g/cm3
Appearence

Etazolate typically appears as a white or slightly off-white crystalline solid. It is often supplied in its solid form.

Comment on solubility

Solubility Characteristics of 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol

The compound 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol, with the chemical formula C22H26N2O2, exhibits intriguing solubility properties that are essential for understanding its behavior in various environments.

General Solubility Insights

In order to explore the solubility of this complex compound, several factors need to be considered:

  • Polar vs. Nonpolar: The presence of the ethoxy and ethanol functional groups suggests potential for polar interactions, which may enhance solubility in polar solvents such as water or alcohols.
  • Molecular Size: With a relatively large molecular weight of 350.46 g/mol, solubility could be affected by steric hindrances, which might limit its dispersion in certain solvents.
  • Functional Groups: Functional groups like amines and ethers are generally associated with increased solubility, particularly in aqueous solutions. The role of these functional groups in this compound could promote solubility especially under conditions that favor hydrogen bonding.

Predicted Solubility

Although specific solubility data may not be readily available, some general predictions can be made:

  • Based on its structure, solubility in organic solvents (such as DMSO or ethanol) is likely to be favorable.
  • Limited solubility in cold water is anticipated, but increased solubility may occur when utilizing heat or other solvent mixtures.

Understanding the solubility of this compound is crucial for its application in pharmaceutical formulations, as it impacts bioavailability and efficacy. The intricate balance between its molecular structure and environmental factors plays a significant role in determining its behavior in both in vitro and in vivo settings.

Interesting facts

Interesting Facts About 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol

This intriguing compound, identified as 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol, is a remarkable example of synthetic organic chemistry. Its complex structure showcases a union of various functional groups that lend to its unique properties. Here are some fascinating insights about this compound:

  • Pharmacological Potential: Compounds like this are often explored for their potential therapeutic applications. Their intricate structures can interact with various biological targets, presenting opportunities for drug development.
  • Structural Diversity: The presence of both a benzothiazepine and piperazine moiety contributes to the compound's versatility. This structural diversity can influence reactivity, solubility, and biological activity.
  • Synthetic Challenge: The synthesis of such compounds often requires advanced techniques in organic synthesis, making it a favorite topic of research in medicinal chemistry.
  • Research Avenues: Studying compounds like this can lead to the development of novel agents in treating conditions such as anxiety, depression, or other neuropsychiatric disorders.
  • Quote from a Researcher: "The beauty of chemistry lies in the endless possibilities for designing compounds that can improve human health." This encapsulates the spirit behind the study of complex molecules like this one.

Overall, 2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol represents a convergence of creativity and scientific inquiry, showcasing the potential that lies within its carefully crafted structure.

Synonyms
quetiapine
111974-69-7
Seroquel
quetiapina
Quetiapine fumarate
Norsic
Co-Quetiapine
quetiapinum
BGL0JSY5SI
UNII-BGL0JSY5SI
2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
Quetiapine extended release
Quetiapine (INN)
NSC-758918
CHEBI:8707
DTXSID9023546
HSDB 7557
2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]ethanol
Quetiapine-d4Hemifumarate
CHEMBL716
2-(2-(4-Dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)ethanol
Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-
DTXCID903546
ICI 204636
FK949E
NSC 758918
NCGC00095911-03
QUETIAPINE [INN]
2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethoxy]ethanol
Ethanol, 2-(2-(4-dibenzo(b,f)(1,4)thiazepin-11-yl-1-piperazinyl)ethoxy)-
Quetiapine [INN:BAN]
2-{[2-(4-dibenzo[b,f][1,4]thiazepin-11-ylpiperazin-1-yl)ethyl]oxy}ethanol
(E)-2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethanol
2-(2-(4-DIBENZO(B,F)(1,4)THIAZEPIN-11-YLPIPERAZIN-1-YL)ETHOXY)ETHANOL
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
SMR000550491
Norsic (TN)
Seroquel (Fumarate)
CAS-111974-69-7
SR-01000759335
ZM-204636
Ketipinor
Dibenzo[b,f][1,4]thiazepine, ethanol deriv.; 2-[2-[4-(Dibenzo[b,f][1,4]thiazepin-11-yl)-1-piperazinyl]ethoxy]ethanol; Ketipinor; Quetiapine; Ethanol, 2-[2-(4-dibenzo[b,f][1,4]thiazepin-11-yl-1-piperazinyl)ethoxy]-
MFCD00866699
Quetiapine (Standard)
QUETIAPINE [MI]
QUETIAPINE [HSDB]
QUETIAPINE [VANDF]
GTPL50
SCHEMBL7932
QUETIAPINE [WHO-DD]
MLS001165710
MLS001195658
BIDD:GT0279
SPECTRUM1505187
URKOMYMAXPYINW-UHFFFAOYSA-
N05AH04
GLXC-03199
HMS2093K06
HMS2231O11
HMS3372B05
HMS3744E21
HMS3886C22
Pharmakon1600-01505187
BCP23508
Tox21_111537
BBL029071
BDBM50095890
HY-14544R
NSC758918
NSC801189
s5741
STL373578
11-[4-[2-(2-Hydroxyethoxy)ethyl]-1-piperazinyl]dibenzo[b,f][1,4]thiazepine
AKOS003588973
Tox21_111537_1
CCG-213347
CS-1171
DB01224
FQ32483
NSC-801189
MRF-0000010
NCGC00095911-01
NCGC00095911-04
NCGC00095911-06
AC-37642
AS-35258
HY-14544
SBI-0206776.P001
NS00010395
C07397
D08456
EN300-708802
AB00640033-09
AB00640033-10
AB00640033_11
AB00640033_12
L001200
Q408535
SR-01000759335-5
SR-01000759335-7
BRD-K68867920-001-05-2
BRD-K68867920-001-11-0
BRD-K68867920-051-11-5
2-(2-(4-dibenzo[b,f]-[1,4]thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
2-(2-(4-dibenzo[b,f][1,4] thiazepine-11-yl-1-piperazinyl)ethoxy)ethanol
2-[2-(4-benzo[b][1,5]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethanol
2-(2-(4-(dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl)ethoxy)ethan-1-ol
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
InChI=1/C21H25N3O2S/c25-14-16-26-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)27-20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2