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Substance Name: Entacapone 3-o-glucuronide, (Z)-
RN: 158069-76-2
UNII: 4F571XA93F
InChIKey: QFIJKZUWSRMQEH-PXXXLANPSA-N

Molecular Formula

  • C20-H23-N3-O11

Molecular Weight

  • 481.4117
 
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Names and Synonyms

Name of Substance

  • Entacapone 3-o-glucuronide, (Z)-

Synonyms

  • beta-D-Glucopyranosiduronic acid, 5-((1Z)-2-cyano-3-(diethylamino)-3-oxo-1-propen-1-yl)-2-hydroxy-3-nitrophenyl
  • Entacapone 3-beta-D-glucuronide, (Z)-
  • Entacapone 3-o-glucuronide, (Z)-
  • UNII-4F571XA93F

Registry Numbers

CAS Registry Number

  • 158069-76-2

FDA UNII

  • 4F571XA93F

System Generated Number

  • 0158069762

Structure Descriptors

InChI

1S/C20H23N3O11/c1-3-22(4-2)18(28)10(8-21)5-9-6-11(23(31)32)13(24)12(7-9)33-20-16(27)14(25)15(26)17(34-20)19(29)30/h5-7,14-17,20,24-27H,3-4H2,1-2H3,(H,29,30)/b10-5-/t14-,15-,16+,17-,20+/m0/s1

InChIKey

QFIJKZUWSRMQEH-PXXXLANPSA-N

Smiles

CCN(CC)C(=O)/C(=C\c1cc(c(c(c1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)O)[N+](=O)[O-])/C#N