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Substance Name: Silibinin dihemisuccinate disodium
RN: 1265089-66-4
UNII: 57LSQ377IE
InChIKey: OOOHZLBCDRROTF-KZWBABPKSA-J

Molecular Weight

  • 1453.0964
 
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Names and Synonyms

Name of Substance

  • Silibinin dihemisuccinate disodium

Synonyms

  • Legalon SIL
  • Silybin A disodium dihemisuccinate - Silybin B disodium dihemisuccinate mixt.
  • UNII-57LSQ377IE

Registry Numbers

CAS Registry Number

  • 1265089-66-4

FDA UNII

  • 57LSQ377IE

System Generated Number

  • 1265089664

Structure Descriptors

InChI

1S/2C33H30O16.4Na/c2*1-44-21-10-15(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*2-5,10-13,24,31-36H,6-9,14H2,1H3,(H,37,38)(H,39,40);;;;/q;;4*+1/p-4/t24-,31-,32+,33-;24-,31-,32-,33+;;;;/m01..../s1

InChIKey

OOOHZLBCDRROTF-KZWBABPKSA-J

Smiles

[Na+].[Na+].[Na+].[Na+].COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2COC(=O)CCC(=O)[O-])[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4OC(=O)CCC(=O)[O-].COc6cc(ccc6O)[C@@H]7Oc8cc(ccc8O[C@H]7COC(=O)CCC(=O)[O-])[C@H]9Oc%10cc(O)cc(O)c%10C(=O)[C@@H]9OC(=O)CCC(=O)[O-]