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Berberine hydrochloride hydrate

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Identification
Molecular formula
C20H18ClNO4
CAS number
5956-60-5
IUPAC name
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochloride
State
State

At room temperature, berberine hydrochloride hydrate exists as a solid. It is soluble in water and strongly colored solutions can be formed, which are often utilized in microbiological staining and as an indicator due to its vibrant yellow color.

Melting point (Celsius)
204.00
Melting point (Kelvin)
477.15
Boiling point (Celsius)
0.00
Boiling point (Kelvin)
0.00
General information
Molecular weight
407.84g/mol
Molar mass
408.8650g/mol
Density
1.3800g/cm3
Appearence

Berberine hydrochloride hydrate is a yellow crystalline powder. It is typically bright yellow and is known for its intense color, which is characteristic of many alkaloids. The crystals can appear as needle-like or in a plate-like structure, which is common for many alkaloid salts.

Comment on solubility

Solubility of 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochloride

The solubility of this compound, 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochloride, is influenced by several factors including its ionic nature, molecular structure, and the presence of functional groups.

Factors Affecting Solubility

  • Ionic Form: Being a hydrochloride salt indicates increased solubility in polar solvents like water due to its ionic character.
  • Hydration: The presence of water molecules in the hydrate form can significantly enhance solubility through hydration interactions.
  • Functional Groups: The methoxy and dioxole functionalities contribute to favorable intermolecular interactions, which may enhance solubility in organic solvents.

Typically, compounds that feature both hydrophilic (water-attracting) groups and hydrophobic (water-repelling) sections show varied solubility profiles.
In this case, the balance struck between these opposing characteristics will dictate its overall solubility. It is often observed that:

  • Hydrochlorides tend to be more soluble in water compared to their free base counterparts.
  • The molecular interactions afforded by the dioxole structure might promote solubility in non-polar solvents.

Conclusion

In summary, the solubility of 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochloride is expected to be significantly enhanced in aqueous solutions due to its ionic character and hydration potential, while also showing potential solubility in organic solvents due to its unique molecular structure.

Interesting facts

Interesting Facts about 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochloride

This fascinating compound belongs to a class of isoquinoline derivatives, which are known for their diverse biological activities. Scientists and chemists have been particularly intrigued by the unique structure of this compound, which incorporates both a dioxole and isoquinoline structure. Here are some key points highlighting its significance:

  • Biological Activity: Compounds of this type are often studied for their potential pharmacological effects. They may exhibit activities such as anti-inflammatory, analgesic, or even antitumor properties.
  • Natural Occurrence: Some isoquinoline derivatives are derived from natural sources, making them crucial in the field of natural product chemistry.
  • Synthesis: The synthetic pathways to create such complex molecules often involve multiple steps, showcasing the ingenuity required in organic chemistry.
  • Hydrochloride Form: The hydrochloride salt form is significant in medicinal chemistry, as it improves solubility and stability of the compound, aiding in drug formulation.

In summary, 4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochloride stands as a prime example of how intricate chemical structures can pave the way for potential therapeutic applications. As one chemical researcher aptly stated, “Understanding these structures opens doors to groundbreaking advancements in health science.”

Synonyms
Hydrocotarnine hydrochloride hydrate
6078-54-2
4301VZ4T43
hydrocotarnine hydrochloride monohydrate
Hydrocotarnine hydrochloride hydrate (JP17)
5,6,7,8-Tetrahydro-4-methoxy-6-methyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride hydrate
HYDROCOTARNINE HYDROCHLORIDE HYDRATE [JAN]
HYDROCOTARNINE HYDROCHLORIDE MONOHYDRATE [MI]
HYDROCOTARNINE HYDROCHLORIDE MONOHYDRATE [WHO-DD]
1,3-DIOXOLO(4,5-G)ISOQUINOLINE, 5,6,7,8-TETRAHYDRO-4-METHOXY-6-METHYL-, HYDROCHLORIDE, HYDRATE (1:1:1)
5,6,7,8-TETRAHYDRO-4-METHOXY-6-METHYL-1,3-DIOXOLO(4,5-G)ISOQUINOLINE HYDROCHLORIDE MONOHYDRATE
8-METHOXY-5,6-METHYLENEDIOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE MONOHYDRATE
4-Methoxy-6-methyl-5,6,7,8-tetrahydro(1,3)dioxolo(4,5-g)isoquinoline monohydrochloride monohydrate
4-Methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinoline monohydrochloride monohydrate
5985-55-7, anhydride
hydrocotarnine hydrochloride
UNII-4301VZ4T43
Hydrocotarnine hydrochloride [JAN]
4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrate;hydrochloride
1,3-Dioxolo(4,5-g)isoquinoline, 5,6,7,8-tetrahydro-4-methoxy-6-methyl-, hydrochloride, monohydrate
CHEMBL2107289
DTXSID50209602
D02031
Q27258585