Silybin dihemisuccinate disodium salt

CAS Registry Number®

55254-34-7

CAS Name

Silybin dihemisuccinate disodium salt

Molecular Formula

C33H30O16.2Na

Cite this Page

Silybin dihemisuccinate disodium salt.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=55254-34-7 (retrieved 2024-12-23) (CAS RN: 55254-34-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C33H30O16.2Na/c1-44-21-10-15(2-4-18(21)35)31-24(14-45-27(41)8-6-25(37)38)46-20-5-3-16(11-22(20)47-31)32-33(49-28(42)9-7-26(39)40)30(43)29-19(36)12-17(34)13-23(29)48-32;;/h2-5,10-13,24,31-36H,6-9,14H2,1H3,(H,37,38)(H,39,40);;/t24-,31-,32-,33+;;/m1../s1

InChIKey

InChIKey=NAHGVJGOWRSUPX-DSGKQNAUSA-N

SMILES

O(C(CCC(O)=O)=O)[C@@H]1[C@H](OC=2C(C1=O)=C(O)C=C(O)C2)C=3C=C4C(=CC3)O[C@H](COC(CCC(O)=O)=O)[C@H](O4)C5=CC(OC)=C(O)C=C5.[Na]

Canonical SMILES

[Na].O=C(O)CCC(=O)OCC1OC2=CC=C(C=C2OC1C3=CC=C(O)C(OC)=C3)C4OC=5C=C(O)C=C(O)C5C(=O)C4OC(=O)CCC(=O)O

Other Names for this Substance

  • Butanedioic acid, 1-[[(2R,3R)-6-[(2R,3R)-3-(3-carboxy-1-oxopropoxy)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-1,4-benzodioxin-2-yl]methyl] ester, sodium salt (1:2)
  • Butanedioic acid, mono[[6-[3-(3-carboxy-1-oxopropoxy)-3,4-dihydro-5,7-dihydroxy-4-oxo-2H-1-benzopyran-2-yl]-2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-1,4-benzodioxin-2-yl]methyl] ester, disodium salt, [2R-[2α,3β,6(2R*,3R*)]]-
  • 1,4-Benzodioxin, butanedioic acid deriv.
  • Silybin dihemisuccinate sodium salt
  • Silybin hemisuccinate sodium salt

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Deleted or Replaced CAS Registry Numbers

1053209-89-4

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.