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Carmofur

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Identification
Molecular formula
C11H16N2O3
CAS number
61422-45-5
IUPAC name
[4-[2-[4-(isobutoxycarbonyloxymethyl)-3,5-dioxo-piperazin-1-yl]ethyl]-2,6-dioxo-piperazin-1-yl]methyl isobutyl carbonate
State
State

At room temperature, Carmofur is a solid. It exists typically in a white to off-white crystalline form, which is stable under prescribed storage conditions.

Melting point (Celsius)
105.00
Melting point (Kelvin)
378.15
Boiling point (Celsius)
285.90
Boiling point (Kelvin)
559.05
General information
Molecular weight
260.27g/mol
Molar mass
260.2710g/mol
Density
1.3000g/cm3
Appearence

Carmofur appears as a white to off-white crystalline powder with no significant odor. It is typically provided in a solid form which can be processed into capsules or tablets for clinical use.

Comment on solubility

Solubility of 4-[2-[4-(isobutoxycarbonyloxymethyl)-3,5-dioxo-piperazin-1-yl]ethyl]-2,6-dioxo-piperazin-1-yl]methyl isobutyl carbonate (C11H16N2O3)

The solubility characteristics of the compound 4-[2-[4-(isobutoxycarbonyloxymethyl)-3,5-dioxo-piperazin-1-yl]ethyl]-2,6-dioxo-piperazin-1-yl]methyl isobutyl carbonate are influenced by its unique structural features. Understanding its solubility can be essential for applications in pharmaceuticals and materials science. Here are some key points regarding its solubility:

  • Polar and Nonpolar Character: The presence of multiple functional groups may suggest varying polarities, impacting its solubility in different solvents.
  • Water Solubility: Compounds with extensive hydrophilic (water-attracting) groups typically show higher solubility in aqueous environments; however, the presence of hydrophobic (water-repelling) isobutoxy groups could limit this.
  • Solvent Interaction: This compound may show differing solubility in organic solvents such as ethanol, methanol, and DMSO, making it crucial to identify the optimal solvent for use.
  • Temperature Dependency: Like many organic compounds, solubility may increase with temperature, so it's worth considering the conditions under which the compound will be utilized.
  • Practical Implications: Poor solubility may affect bioavailability in pharmaceutical applications, influencing drug formulation strategies.

In summary, the solubility of 4-[2-[4-(isobutoxycarbonyloxymethyl)-3,5-dioxo-piperazin-1-yl]ethyl]-2,6-dioxo-piperazin-1-yl]methyl isobutyl carbonate is complex, necessitating thorough examination of its solvent interactions and dissolution behavior for its effective application.

Interesting facts

Interesting Facts about 4-[2-[4-(isobutoxycarbonyloxymethyl)-3,5-dioxo-piperazin-1-yl]ethyl]-2,6-dioxo-piperazin-1-yl]methyl isobutyl carbonate

This compound features a complex structure that highlights the intricate nature of chemical synthesis, particularly within the realm of medicinal chemistry. Here are some fascinating points about this compound:

  • Complex Composition: This compound contains multiple functional groups, including piperazine rings that are widely recognized for their biological versatility, often acting as pharmacophores in drug design.
  • Applications in Medicine: Due to its unique structure, it may have potential applications in developing pharmaceuticals targeting various diseases, making it a subject of interest in drug research.
  • Link to Carbonates: The presence of isobutyl carbonate in its structure suggests it might exhibit interesting chemical reactivity, particularly in reactions involving nucleophiles.
  • Research Potential: Compounds with multiple carbonyl groups, like this one, are often investigated for their role in biological processes, which might provide avenues for innovative therapeutic strategies.
  • Studying Therapeutic Mechanisms: Understanding how this compound interacts at the molecular level could lead to insights into binding mechanisms, enhancing our knowledge of drug efficacy and optimization.

Moreover, the synthetic pathways leading to the creation of such a compound often involve sophisticated techniques that can reveal much about the stability and reactivity of various molecular fragments. This makes studying this compound a compelling opportunity for chemists looking to explore the frontier of medicinal chemistry.


In quotes, a noted chemist once said, "The beauty of chemistry lies not just in the compounds themselves, but in the potential they hold for understanding and combating diseases." Such a perspective is particularly relevant when considering structures as intricate as that of 4-[2-[4-(isobutoxycarbonyloxymethyl)-3,5-dioxo-piperazin-1-yl]ethyl]-2,6-dioxo-piperazin-1-yl]methyl isobutyl carbonate.

Synonyms
sobuzoxane
98631-95-9
Perazolin
Sobuzoxano
MST 16
Sobuzoxanum
Sobuzoxane [INN:JAN]
MST-16
Sobuzoxanum [INN-Latin]
Sobuzoxano [INN-Spanish]
[4-[2-[4-(2-methylpropoxycarbonyloxymethyl)-3,5-dioxopiperazin-1-yl]ethyl]-2,6-dioxopiperazin-1-yl]methyl 2-methylpropyl carbonate
Perazolin (TN)
Sobuzoxane (JAN)
UNII-R1308VH37P
BRN 6031322
DTXSID5045203
R1308VH37P
SOBUZOXANE [MI]
SOBUZOXANE [INN]
SOBUZOXANE [JAN]
SOBUZOXANE [MART.]
1,2-Bis(4-isobutoxycarbonyloxymethyl-3,5-dioxo-piperazin-1-yl)ethane
SOBUZOXANE [WHO-DD]
DTXCID3025203
4,4'-Ethylenebis(1-(hydroxymethyl)-2,6-piperazinedione) bis(isobutyl carbonate) (ester)
NCGC00015954-02
Sobuzoxanum (INN-Latin)
Sobuzoxano (INN-Spanish)
SOBUZOXANE (MART.)
Carbonic acid, 1,2-ethanediylbis((2,6-dioxo-4,1-piperazinediyl)methylene)bis(2-methylpropyl) ester
MFCD00866498
Lopac-S-4692
Lopac0_001094
SCHEMBL18416
MLS002153414
CHEMBL1256871
CHEBI:32136
OCOKWVBYZHBHLU-UHFFFAOYSA-N
HMS2230C04
HMS3263K10
HMS3369L07
Tox21_110265
Tox21_501094
1,2-bis(4-isobutoxycarbonyloxymethyl-3,5-dioxopiperazin-1-yl)ethane
EX-A10184
4,4'-(1,2-Ethanediyl)bis(1-iso-butoxycarbonyloxmethyl-2,6-piperazinedione)
Sobuzoxane, >=99% (HPLC), solid
CCG-205171
LP01094
SDCCGSBI-0051064.P002
NCGC00015954-01
NCGC00015954-03
NCGC00015954-04
NCGC00094367-01
NCGC00094367-02
NCGC00261779-01
SMR001230790
CAS-98631-95-9
HY-106582
CS-0026102
EU-0101094
NS00123980
D01404
F52515
S 4692
SR-01000075401
SR-01000075401-2
Q27287640
4,4'-(1,2-Ethanediyl)bis(1-isobutoxycarbonyloxmethyl-2,6-piperazinedione)
4,4'-(1,2-Ethanediyl)bis(1-isobutoxycarbonyloxymethyl-2,6-piperazinedione)
(Ethane-1,2-diylbis(2,6-dioxopiperazine-4,1-diyl))bis(methylene) diisobutyl bis(carbonate)
(4,4'-(ethane-1,2-diyl)bis(2,6-dioxopiperazine-4,1-diyl))bis(methylene) isobutyl dicarbonate
[4-[2-[4-(2-Methylpropoxycarbonyloxymethyl)-3,5-dioxo-piperazin-1-yl]ethyl]-2,6-dioxo-piperazin-1-yl]methyl 2-methylpropyl carbonate