Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate | CAS No. 129541-41-9

Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate

Basic Information

CAS Number

129541-41-9

Molecular Formula

C14H12BrClNNaO7

Molecular Weight

444.59 g/mol

AD

Basic Physical Properties

Melting Point

228-230°C

Water Solubility

Soluble in water at 10mg/ml

Solubility

deionized water: solubleone tablet, 5mg/mL

C1=CC(=C(C2=C1NC=C2OC3C(C(C(C(O3)C(=O)[O-])O)O)O)Cl)Br.[Na+]

InChI

InChI=1S/C14H13BrClNO7.Na/c15-4-1-2-5-7(8(4)16)6(3-17-5)23-14-11(20)9(18)10(19)12(24-14)13(21)22;/h1-3,9-12,14,17-20H,(H,21,22);/q;+1/p-1/t9-,10-,11+,12-,14+;/m0./s1

InChIKey

IBLSVGDGSKUDCT-CYRSAHDMSA-M

LogP

-0.47990

Complexity

492

Safety Information

View Safety Information

Sensitiveness

Light Sensitive

Synonyms & References

English

  • 5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt, >=98%
  • 5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt
  • 370100-64-4
  • AKOS016010008
  • BC-Indicator,X-GlcA,X-glucuronide
  • BC-Indicator
  • B-7400
  • B-7398
  • 370100-64-4 (.3H2O)
  • X-Gluc (sodium)
  • 5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt
  • sodium;(2S,3S,4S,5R,6S)-6-[(5-bromo-4-chloro-1H-indol-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylate
  • 5-Bromo-4-chloro-3-indoxyl- beta -D-glucuronic acid sodium salt
  • sodium (2S,3S,4S,5R,6S)-6-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate
  • HY-15935C
  • X-beta-D-GlcA⋅Na
  • CS-0142272
  • 5-Bromo-4-chloro-3-indoxyl-beta-D-glucuronic acid, sodium salt anhydrous
  • 5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt, tablet
  • XGLUC, Sodium Salt
  • 5-Bromo-4-chloro-3-indolyl beta-D-glucuronide sodium salt, >=98% (TLC)
  • 5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt
  • SCHEMBL2707818
  • beta-D-Glucopyranosiduronic acid, 5-bromo-4-chloro-1H-indol-3-yl, sodium salt (1:1)
  • 129541-41-9
  • FD10025
  • MFCD00135782
  • AC-33216
  • AS-11184
  • 5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt hydrate
  • AMY41442

MDL Number

MFCD00135782

Customs Code

29339990

FAQ

What are the physical and chemical properties of Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate (CAS: 129541-41-9)?

Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate is a crystalline compound with a molecular weight of approximately 674.2 g/mol. It has a high solubility in water and exhibits moderate reactivity in organic solvents. This compound is known for its stability under normal storage conditions and requires careful handling during synthesis and use due to its chemical reactivity.

How is Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate (CAS: 129541-41-9) typically synthesized?

Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate is synthesized through a multi-step process involving bromination and chlorination of indole followed by coupling with glucopyranosiduronate. Commonly, this involves the use of bromine and chlorine with a suitable catalyst. The reaction is typically carried out in anhydrous conditions to ensure high yield and selectivity.

What industries use Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate (CAS: 129541-41-9)?

Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate is utilized in the pharmaceutical industry for the development of novel drug candidates. It may also find applications in the biochemical industry, particularly in the synthesis of complex glycoconjugates and in the development of biosensors. Its unique chemical structure makes it a valuable reagent in organic synthesis and material science.

What precautions should be taken when handling Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate (CAS: 129541-41-9)?

When handling Sodium 5-bromo-4-chloro-1H-indol-3-yl beta-D-glucopyranosiduronate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be handled in a fume hood due to its potential for off-gassing. In the event of a spill, it is recommended to use appropriate absorbents and follow the guidelines outlined in the Material Safety Data Sheet (MSDS) for safe disposal. Storage should be in a cool, dry place away from direct sunlight.

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