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Substance Name: Valproic acid glucuronide
RN: 60113-83-9
InChIKey: XXKSYIHWRBBHIC-JVWRJRKNSA-N

Note

  • Major metabolite of valproic acid.

Molecular Formula

  • C14-H24-O8

Molecular Weight

  • 320.336
 
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Names and Synonyms

Name of Substance

  • Valproic acid glucuronide

Synonym

  • VPAG

Systematic Name

  • beta-D-Glucopyranuronic acid, 1-(2-propylpentanoate)

Registry Numbers

CAS Registry Number

  • 60113-83-9

System Generated Number

  • 0060113839

Structure Descriptors

InChI

1S/C14H24O8/c1-3-5-7(6-4-2)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h7-11,14-17H,3-6H2,1-2H3,(H,18,19)/t8-,9-,10+,11-,14-/m0/s1

InChIKey

XXKSYIHWRBBHIC-JVWRJRKNSA-N

Smiles

O1[C@H](C(O)=O)[C@H]([C@@H]([C@H]([C@@H]1OC(C(CCC)CCC)=O)O)O)O