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Substance Name: Phenolphthalein glucuronide
RN: 15265-26-6
UNII: 0S390I6642
InChIKey: FXJYOZKDDSONLX-XADSOVDISA-N

Molecular Formula

  • C26-H22-O10

Molecular Weight

  • 494.4498
 
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Names and Synonyms

Name of Substance

  • Phenolphthalein glucuronide

Synonym

  • UNII-0S390I6642

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 15265-26-6

FDA UNII

  • 0S390I6642

Related Registry Number

  • 6820-54-8 (hydrochloride salt)

System Generated Number

  • 0015265266

Structure Descriptors

InChI

1S/C26H22O10/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)/t19-,20-,21+,22-,25+,26?/m0/s1

InChIKey

FXJYOZKDDSONLX-XADSOVDISA-N

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