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Substance Name: Silybin dihemisuccinate
RN: 34482-56-9
UNII: 53N75P67NW
InChIKey: JXTPWYSSFFOISU-BMSWWXRLSA-N

Molecular Formula

  • C33-H30-O16

Molecular Weight

  • 682.584
 
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Names and Synonyms

Name of Substance

  • Silybin dihemisuccinate

Synonym

  • UNII-53N75P67NW

Systematic Name

  • 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, (2R-(2alpha,3beta,6(2R*,3R*)))-

Registry Numbers

CAS Registry Number

  • 34482-56-9

FDA UNII

  • 53N75P67NW

System Generated Number

  • 0034482569

Structure Descriptors

InChI

1S/C33H30O16/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

JXTPWYSSFFOISU-BMSWWXRLSA-N

Smiles

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