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Cabergoline

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Identification
Molecular formula
C26H32ClN5O2
CAS number
81409-90-7
IUPAC name
9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
State
State

At room temperature, Cabergoline is typically in a solid state.

Melting point (Celsius)
102.00
Melting point (Kelvin)
375.15
Boiling point (Celsius)
595.30
Boiling point (Kelvin)
868.45
General information
Molecular weight
451.52g/mol
Molar mass
451.5170g/mol
Density
1.2000g/cm3
Appearence

Cabergoline appears as a white to off-white powder. It is odorless and has low solubility in water but is soluble in organic solvents such as chloroform, methanol, and ethanol.

Comment on solubility

Solubility of 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

The solubility of the compound 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, with the chemical formula C26H32ClN5O2, presents an interesting case for researchers and chemists.

Generally, the solubility of a compound is influenced by several key factors:

  • Polarity: The presence of functional groups, especially -OH (hydroxyl groups), can enhance solubility in polar solvents such as water.
  • Hydrophobic vs. Hydrophilic Regions: This compound possesses aromatic rings and alkane chains, which may limit its solubility in highly polar solvents.
  • pH Level: The solubility may vary significantly depending on the pH, as ionization of functional groups can alter solubility properties.

In summary, while the presence of hydroxyl groups suggests potential for solubility in aqueous solutions, the overall structure of the compound could also indicate moderate to low solubility in non-polar solvents. Thus, one might expect:

  • A relatively low solubility in water, due to the hydrophobic character of larger aromatic sections.
  • Potential solubility in organic solvents such as ethanol or dimethyl sulfoxide (DMSO).

This nuanced balance of hydrophilic and hydrophobic characteristics makes solubility studies for this compound particularly intriguing, as they can guide its application in various chemical and pharmaceutical contexts.

Interesting facts

Interesting Facts about 9-Chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

This compound, with a complex structure, belongs to a class of chemicals known for their diverse biological activities. Here are some engaging insights about it:

  • Structural Intricacy: The compound features a benzazepine core, which is noteworthy for its role in various pharmacological properties, making it a significant topic of study in medicinal chemistry.
  • Biological Significance: Compounds related to benzazepines have been associated with potential therapeutic effects, including anti-inflammatory and analgesic activities.
  • Synthetic Pathways: The synthesis of such intricate molecules often involves advanced organic chemistry techniques, which challenge chemists to innovate and adapt new methodologies.
  • Critical Hydroxy Groups: The presence of hydroxyl groups enhances solubility and can influence the compound's reactivity, potentially affecting its pharmacokinetics.
  • Interesting Derivative: The chlorine atom in the structure may contribute to specific interactions with biological targets, which can be crucial for the efficacy and selectivity of pharmacological agents.

As a research student delving into the realm of chemical compounds, it's essential to appreciate both the structural complexity and the potential applications of such molecules. They can serve as vital leads in drug discovery or as tools in biochemical research. The study of this compound can inspire future work aimed at developing new therapies that could benefit individuals facing various health challenges.

Synonyms
fenoldopam
67227-56-9
Fenoldopamum
Fenoldopamum [Latin]
Carlacor
SKF 82526
9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
INU8H2KAWG
UNII-INU8H2KAWG
Fenoldopam (INN)
6-chloro-1-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
CHEBI:5002
DTXSID0043896
1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-(4-hydroxyphenyl)-
DTXCID8023896
Fenoldopamum (Latin)
SK-82526-J
NCGC00015444-04
FENOLDOPAM [INN]
Fenoldopam [INN:BAN]
MLS001401388
Carlacor (TN)
SK&F-82526
CAS-67227-56-9
SMR000469190
FENOLDOPAM [MI]
FENOLDOPAM [VANDF]
Biomol-NT_000042
CHEMBL588
C07693
FENOLDOPAM [WHO-DD]
Lopac0_000556
SCHEMBL34250
GTPL939
cid_49659
BPBio1_001265
SCHEMBL13287212
BDBM60917
C01CA19
HMS2090G16
HMS3715H14
HMS3742O09
HY-B0735
Tox21_110152
PDSP1_001661
PDSP2_001645
AKOS015906543
Tox21_110152_1
CCG-204646
DB00800
SDCCGSBI-0050539.P002
NCGC00015444-03
NCGC00015444-05
NCGC00015444-06
NCGC00015444-07
NCGC00015444-17
NCGC00025246-02
NCGC00025246-03
SK-82526
DB-054998
NS00014332
D07946
EN300-119508
AB00698256-13
AB00698256-15
AB00698256_16
L000254
Q2357007
BRD-A50684349-001-01-5
BRD-A50684349-003-01-1
BRD-A50684349-003-02-9
BRD-A50684349-066-11-7
9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;mesylic acid
1092382-99-4
9-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;methanesulfonic acid