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Substance Name: Phenolphthalein glucuronide
RN: 6820-54-8
UNII: 7929713226
InChIKey: GBLJULUMBNYFAK-PDFLYTMFSA-M

Molecular Formula

  • C26-H22-O10.Na

Molecular Weight

  • 516.4319
 
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Names and Synonyms

Name of Substance

  • Phenolphthalein glucuronide

Synonyms

  • EINECS 229-896-3
  • Phenolphthalein b-D-glucuronide sodium salt
  • UNII-7929713226

Systematic Name

  • beta-d-Glucopyranosiduronic acid, 4-(1,3-dihydro-1-(4-hydroxyphenyl)-3-oxo-1-isobenzofuranyl)phenyl, monosodium salt

Registry Numbers

CAS Registry Number

  • 6820-54-8

FDA UNII

  • 7929713226

Related Registry Number

  • 15265-26-6 (Parent)

System Generated Number

  • 0006820548

Molecular Formulas

Molecular Formula

  • C26-H22-O10.Na

Molecular Formula Fragments

  • C26-H22-O10
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C26H22O10.Na/c27-15-9-5-13(6-10-15)26(18-4-2-1-3-17(18)24(33)36-26)14-7-11-16(12-8-14)34-25-21(30)19(28)20(29)22(35-25)23(31)32;/h1-12,19-22,25,27-30H,(H,31,32);/q;+1/p-1/t19-,20-,21+,22-,25+,26?;/m0./s1

InChIKey

GBLJULUMBNYFAK-PDFLYTMFSA-M

Smiles

c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)[O-])O)O)O.[Na+]