5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt trihydrate

Catalog No. :
ACPVSB852
CAS No. :
370100-64-4
Molecular Formula :
C14H18BrClNNaO10
Molecular Weight :
498.64

IUPAC Name:sodium (2S,3S,4S,5R,6S)-6-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate trihydrate

5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt trihydrate structure diagram
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Product Information

Product Name5-Bromo-4-chloro-3-indolyl b-D-glucuronide sodium salt trihydrate
IUPAC Namesodium (2S,3S,4S,5R,6S)-6-((5-bromo-4-chloro-1H-indol-3-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate trihydrate
MDL No.MFCD01861962
Molecular FormulaC14H18BrClNNaO10
Molecular Weight498.64
SMILESO.O.O.O=C([O-])[C@H]1O[C@@H](OC2=CNC3=C2C(Cl)=C(Br)C=C3)[C@H](O)[C@@H](O)[C@@H]1O.[Na+]
InChI KeyKSEGXDRRKCCCGG-BTCNKGGSSA-M
SynonymX-GLUC, NA;X-GLUC SODIUM SALT;X-BETA-D-GLCA NA;X-BETA-D-GLUCURONIC ACID, SODIUM SALT;5-BROMO-4-CHLORO-3-INDOYL-BETA-D-GLUCURONIDE SODIUM SALT;5-Bromo-4-chloro-3-indolylb-D-glucuronidesodiumsalt;5-Bromo-4-chloro-3-indolyl β-D-glucuronide sodiun salt;5-BROMO-4-CHLORO-3-INDOLYL BETA-D-GLUCURONIDE SODI
CAS No.370100-64-4

Synthetic Route by SureRoute

1. ACPVSB852 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACPVSB852 route product structure diagram
    ACPVSB852370100-64-4
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2. ACPVSB852 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. ACAWBD401 route compound structure diagram
    ACAWBD4017774-34-7 In Stock
  2. Plus
  3. ACDLXO308 route compound structure diagram
    ACDLXO308114162-64-0 In Stock
  4. Then
  5. ACPVSB852 route product structure diagram
    ACPVSB852370100-64-4
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