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Thiamine pyrophosphate chloride

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Identification
Molecular formula
C12H19N4O4PS1Cl1
CAS number
67-03-8
IUPAC name
2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;chloride
State
State

At room temperature, thiamine pyrophosphate chloride exists as a solid. Its crystalline nature is due to the ionic interactions between the chloride ion and the thiamine pyrophosphate cation. The solid state contributes to its prolonged shelf life when stored under proper conditions.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.00
Boiling point (Celsius)
594.00
Boiling point (Kelvin)
867.00
General information
Molecular weight
466.36g/mol
Molar mass
466.3610g/mol
Density
1.3000g/cm3
Appearence

Thiamine pyrophosphate chloride typically appears as a white crystalline powder. It is hygroscopic, meaning it can absorb moisture from the air. This property requires it to be stored in airtight containers to maintain its stability and efficacy.

Comment on solubility

Solubility of 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;chloride

The solubility of the compound 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;chloride can be influenced by several factors, including its ionic character, molecular structure, and the presence of functional groups. This compound features both positively charged thiazolium and phosphate groups, which generally enhance solubility in polar solvents, particularly water. Below, we outline key aspects that affect solubility:

  • Ionic Nature: The presence of the chloride ion suggests a high degree of water solubility due to its ability to dissociate in aqueous solutions.
  • Functional Groups: The amino and methyl groups may alter solubility; amino groups can form hydrogen bonds, further promoting solubility in polar solvents.
  • Molecular Interactions: Intramolecular and intermolecular interactions such as hydrogen bonding and van der Waals forces can influence the solubility.

In conclusion, while the specific solubility value of this compound may vary based on experimental conditions, it is expected to be soluble in aqueous media due to its ionic components and polar functional groups. As with many compounds of similar structure, an empirical evaluation is often necessary to ascertain exact solubility characteristics under defined conditions.

Interesting facts

Interesting Facts about 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; chloride

The compound 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; chloride is a fascinating example of a complex organic molecule with various applications in biochemistry and pharmacology. Here are some engaging insights about this compound:

  • Biological Significance: This compound boasts a unique structure that can interact with biological systems, potentially serving as a pharmacophore for drug development.
  • Functional Groups: The presence of a thiazolium and pyrimidine ring system enhances its ability to bind to specific targets, which is critical in medicinal chemistry.
  • Phosphorylation: With its dihydrogen phosphate moiety, this compound may participate in phosphorylation reactions, an essential process in signaling pathways.
  • Antimicrobial Properties: Compounds containing thiazole and pyrimidine frameworks have been noted for their potential antimicrobial activities, making this compound a subject of interest in microbiological studies.
  • Research Potential: Due to its intricate structure, ongoing research could unveil new therapeutic applications, especially in treating diseases where nucleotide metabolism is disrupted.

In essence, 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate; chloride exemplifies how modern chemistry can harness the complexity of organic compounds to find solutions to health-related challenges. The integration of multiple active moieties in its structure highlights the evolving nature of drug discovery.

Synonyms
Monophosphothiamine
532-40-1
Extraneurina
Neurifosforil
Novaneurina
Phosbitamin
Phosphothiamin
Superneurina
Fosbione
Novobeta
Sineurina
vitamin B1 phosphate
vitamin B1 monophosphate
PHOSPHOTHIAMINE
Tmp (thiamine ester)
UNII-P712T71Q3T
Monophosphothiamine [INN:DCF]
Monofosfotiamina [INN-Spanish]
DTXSID6046397
thiamin phosphate
Monophosphothiaminum [INN-Latin]
P712T71Q3T
thiamine(1+) monophosphate chloride
Aneurin-monophosphorsaeureesterchlorid
EINECS 208-536-9
Monophosphothiamine (INN)
DTXCID4026397
MONOPHOSPHOTHIAMINE [INN]
MONOPHOSPHOTHIAMINE [WHO-DD]
THIAMINE PHOSPHORIC ACID ESTER CHLORIDE
Aneurine monophosphate
Monofosfotiamina (INN-Spanish)
Thiamin dihydrogenphosphate
Monophosphothiaminum (INN-Latin)
Aneurin-monophosphorsaeureester
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium chloride
THIAZOLIUM, 3-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-4-METHYL-5-(2-(PHOSPHONOOXY)ETHYL)-, CHLORIDE (1:1)
3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)-1,3-thiazol-3-ium chloride
5-(2-(hydrogen phosphonatooxy)ethyl)-3-((4-imino-2-methyl-3h-pyrimidin-5-yl)methyl)-4-methyl-1,3-thiazol-3-ium
5-[2-(hydrogen phosphonatooxy)ethyl]-3-[(4-imino-2-methyl-3h-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium
THIAMIN phosphoric acid
Thiamine monophosphoric acid
vitamin B1 phosphate chloride
208-536-9
2-(3-((4-amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-1,3-thiazol-3-ium-5-yl)ethyl dihydrogen phosphate
Thiamine monophosphate chloride
thiamine monophosphate
Monofosfotiamina
Vitamin B1 Monophosphate Chloride
Monophosphothiaminum
Phosphothiaminum
Thiamin dihydrogenphosphatchlorid
Monophosphoric ester of thiamine
Tiamina monofosfato
CHEBI:18338
THIAMINE MONOPHOSPHATE CHLORIDE*DIHYDRAT E
Aneurine monophosphate chloride
NCGC00164500-01
Tiamina monofosfato [DCIT]
Thiaminemonophosphate
SCHEMBL94443
CHEMBL2106811
THIAMINE MONOPHOSPHATE [MI]
AAA53240
Tox21_112138
AKOS024375439
FT47110
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate;chloride
CAS-532-40-1
NS00074311
D08581
H37301
SR-01000883748
Q7783877
SR-01000883748-1
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyldihydrogenphosphate;chloride
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)-, chloride