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Varenicline hydrogen sulfate

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Identification
Molecular formula
C13H13N3O4 · H2SO4
CAS number
375815-87-5
IUPAC name
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;hydrogen sulfate
State
State

Varenicline hydrogen sulfate is typically a solid at room temperature.

Melting point (Celsius)
223.50
Melting point (Kelvin)
496.70
Boiling point (Celsius)
262.60
Boiling point (Kelvin)
535.80
General information
Molecular weight
361.48g/mol
Molar mass
361.4770g/mol
Density
1.3000g/cm3
Appearence

Varenicline hydrogen sulfate appears as a white to off-white powder. It is typically found in a crystalline form, lending to its structured and homogenous appearance.

Comment on solubility

Solubility of 16,17-Dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene; Hydrogen Sulfate

The solubility of this complex organic compound is influenced by its unique structure and the presence of functional groups.

Key Factors Influencing Solubility:

  • Polarity: The presence of polar functional groups, such as methoxy groups (–OCH3) and hydrogen sulfate (–HSO4), enhances its solubility in polar solvents.
  • Hydrogen Bonding: The capability to form hydrogen bonds due to the oxygen atoms in the structure can facilitate dissolution in water and other polar solvents.
  • Structural Complexity: The intricate polycyclic structure may hinder solubility in non-polar solvents, limiting its solubility range.

Typically, compounds like this are more soluble in:

  • Water and alcohols due to polarity
  • Aqueous acidic solutions because of the hydrogen sulfate presence

However, it may show limited solubility in non-polar solvents, making it vital to consider the solvent's nature when predicting solubility behavior.

In conclusion, while the presence of polar groups tends to enhance solubility in various solvents, the structural characteristics also play a significant role in defining the overall solubility profile of this intriguing compound.

Interesting facts

Interesting Facts about 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene; hydrogen sulfate

This fascinating compound is a member of the family of polycyclic aromatic compounds, which have unique properties and applications in various fields of chemistry and material science. Here are some intriguing points about this particular chemical:

  • Complex Structure: The compound features a highly intricate structure with multiple fused rings, which contribute to its stability and potential reactivity. Its pentacyclic arrangement allows for interesting electronic and geometric properties.
  • Applications: Due to its unique features, compounds like this one are often studied for their roles in organic electronics, including organic photovoltaics and light-emitting diodes (OLEDs).
  • Hydrogen Sulfate Role: The hydrogen sulfate part of the compound often enhances its solubility and ionization potential, making it useful in various chemical reactions and processes.
  • Biological Relevance: Some compounds related to this structure have shown antibacterial and antifungal properties, which is a noteworthy area for pharmacological exploration.
  • Research Potential: The complexity of this compound means it is a subject of ongoing research, particularly in the areas of synthetic chemistry and studying its interaction with biological systems.

Overall, the diverse attributes of 16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene; hydrogen sulfate present a rich avenue for scientific inquiry and innovation. As chemists explore its properties, the potential for new discoveries and applications expands, continuing to push the boundaries of what we know about complex organic materials.

Synonyms
Berberine hydrogen sulphate
Berberine bisulfate
BERBERINE ACID SULFATE
BERBERINE BISULPHATE
69A4M9800W
NSC-150444
BERBERINE ACID SULPHATE
BERBERINE ACID SULFATE [MI]
BENZO(G)-1,3-BENZODIOXOLO(5,6-A)QUINOLIZINIUM, 5,6-DIHYDRO-9,10-DIMETHOXY-, SULPHATE (1:1)
633-66-9
BERBERINE SULFATE
Berberine hemisulfate
Acid berberine sulfate
Berberine sulfate (1:1)
Berberine hydrogen sulfate
Berberine (sulfate)
Natural Yellow 18
Erben
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium,5,6-dihydro-9,10-dimethoxy-, sulfate (1:1)
16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene;hydrogen sulfate
9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium hydrogensulfate
Benzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (1:1)
Neutral berberine sulfate
Berberine sulfate anhydrous
Berberine sulfate (2:1)
Siarczanu berberyny
Siarczanu berberyny [Polish]
16,17-dimethoxy-5,7-dioxa-13??-azapentacyclo[11.8.0.0(2),(1)?.0?,?.0(1)?,(2)?]henicosa-1(13),2(10),3,8,14,16,18,20-octaen-13-ylium hydrogen sulfate
NSC-5355
5,6-Dihydro-9,10-dimethoxybenzo(g)-1,3-benzodioxolo(5,6-a)quinolizinium sulfate
EINECS 211-196-4
NSC 150444
Berberinbisulfat
UNII-69A4M9800W
Berberine-Sulfate
Berberine, bisulfate
Berberine hemisulfate salt
Berberine Sulfate(Hydrate)
Berbinium, 7,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, sulfate (1:1)
SCHEMBL231967
CHEMBL492613
Berberine hemisulfate [WHO-DD]
HY-N0716B
DTXSID40979387
JISRTQBQFQMSLG-UHFFFAOYSA-M
MFCD00075789
NSC150444
AKOS024430495
CCG-269051
FB11363
AS-74265
DB-054464
CS-0027678
D70193
EN300-19736153
Benzo[g]-1,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate
Benzo[g]-1,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-, sulfate (1:1)
Berbinium,8,13,13a-tetradehydro-9,10-dimethoxy-2,3-(methylenedioxy)-, sulfate (1:1)
16,17-dimethoxy-5,7-dioxa-13lambda5-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(21),2(10),3,8,13,15(20),16,18-octaen-13-ylium hydrogen sulfate
9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-iumhydrogensulfate
9,10-Dimethoxy-5,6-dihydro-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium hydrogen sulfate