Entacapone 3-Beta-D-Glucuronide Disodium Salt

• Synonyms:

  5-[(1E)-2-Cyano-3-(diethylamino)-3-oxo-1-propenyl]-2-hydroxy-3-nitrophenyl β-D-Glucopyranosiduronic Acid Disodium Salt

• Hazard Statement:

  Not a hazardous substance according to GHS.

• Purity:

  >95% (HPLC)

• Smiles:

  O[C@H]1[C@H](O)[C@@H](O)[C@H](OC2=C(O[Na])C([N+]([O-])=O)=CC(/C=C(C#N)/C(N(CC)CC)=O)=C2)O[C@@H]1C(O[Na])=O

• Molecular Formula:

  C20H21N3Na2O11

• Molecular Weight:

  525.37

• InChI:

  InChI=1S/C20H23N3O11.2Na/c1-3-22(4-2)18(28)10(8-21)5-9-6-11(23(31)32)13(24)12(7-9)33-20-16(27)14(25)15(26)17(34-20)19(29)30;;/h5-7,14-17,20,24-27H,3-4H2,1-2H3,(H,29,30);;/q;2*+1/p-2/b10-5+;;/t14-,15-,16+,17?,20+;;/m0../s1

• Additionnal Information:

  IUPAC name: sodium (2S,3S,4S,5R,6S)-6-(5-((E)-2-cyano-3-(diethylamino)-3-oxoprop-1-en-1-yl)-3-nitro-2-oxidophenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylate

• Shipping Conditions:

  Room Temperature

• Storage Conditions:

  -20°C