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Substance Name: Diethylstilbestrol monoglucuronide
RN: 2408-40-4
UNII: HCS07E193J
InChIKey: LJMPVHCKUXKZAV-PDSLVOJVSA-N

Note

  • Metabolite of diethylstilbestrol.

Molecular Formula

  • C24-H28-O8

Molecular Weight

  • 444.4772
 
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Names and Synonyms

Name of Substance

  • Diethylstilbestrol monoglucuronide

Synonyms

  • Diethylstilbestrol glucuronide
  • EINECS 219-310-4
  • UNII-HCS07E193J

Systematic Name

  • (E)-4-(1-Ethyl-2-(4-hydroxyphenyl)but-1-enyl)phenyl-beta-D-glucopyranosiduronic acid

Registry Numbers

CAS Registry Number

  • 2408-40-4

FDA UNII

  • HCS07E193J

System Generated Number

  • 0002408404

Structure Descriptors

InChI

1S/C24H28O8/c1-3-17(13-5-9-15(25)10-6-13)18(4-2)14-7-11-16(12-8-14)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h5-12,19-22,24-28H,3-4H2,1-2H3,(H,29,30)/b18-17+/t19-,20-,21+,22-,24+/m0/s1

InChIKey

LJMPVHCKUXKZAV-PDSLVOJVSA-N

Smiles

CC\C(=C(\CC)/c1ccc(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(=O)O)cc1)\c3ccc(O)cc3