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Substance Name: Diflunisal glucuronide ether
RN: 58446-29-0
InChIKey: RBZXVQOCMCPTHC-KSPMYQCISA-N

Note

  • Metabolite of diflunisal.

Molecular Formula

  • C19-H16-F2-O9

Molecular Weight

  • 426.3224
 
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Names and Synonyms

Name of Substance

  • Diflunisal glucuronide ether

Synonym

  • Diflunisal phenolic glucuronide

Systematic Names

  • beta-D-Glucopyranosiduronic acid, 3-carboxy-2',4'-difluoro(1,1'-biphenyl)-4-yl
  • beta-D-Glucopyranosiduronic acid, 3-carboxy-2',4'-difluoro(1,1'-biphenyl)-4-yl, stereoisomer

Registry Numbers

CAS Registry Number

  • 58446-29-0

System Generated Number

  • 0058446290

Structure Descriptors

InChI

1S/C19H16F2O9/c20-8-2-3-9(11(21)6-8)7-1-4-12(10(5-7)17(25)26)29-19-15(24)13(22)14(23)16(30-19)18(27)28/h1-6,13-16,19,22-24H,(H,25,26)(H,27,28)/t13-,14-,15+,16-,19+/m0/s1

InChIKey

RBZXVQOCMCPTHC-KSPMYQCISA-N

Smiles

c1cc(c(cc1c2ccc(cc2F)F)C(=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O