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Substance Name: Silibinin B dihemisuccinate disodium
RN: 1265089-65-3
UNII: ZW3701GQ4G
InChIKey: YIDLJQVKFQDISS-XXOKVDQFSA-L

Molecular Formula

  • C33-H28-O16.2Na

Molecular Weight

  • 726.5482
 
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Names and Synonyms

Name of Substance

  • Silibinin B dihemisuccinate disodium

Synonym

  • UNII-ZW3701GQ4G

Registry Numbers

CAS Registry Number

  • 1265089-65-3

FDA UNII

  • ZW3701GQ4G

System Generated Number

  • 1265089653

Structure Descriptors

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);;/q;2*+1/p-2/t24-,31-,32+,33-;;/m0../s1

InChIKey

YIDLJQVKFQDISS-XXOKVDQFSA-L

Smiles

COc1cc(ccc1O)[C@H]2[C@@H](Oc3ccc(cc3O2)[C@@H]4[C@H](C(=O)c5c(cc(cc5O4)O)O)OC(=O)CCC(=O)[O-])COC(=O)CCC(=O)[O-].[Na+].[Na+]