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Substance Name: RO-48-2485-(3-o-beta,D-glucuronide)
RN: 254902-31-3
UNII: 893N30363M
InChIKey: DGKWLJHUDSLAAU-SXFAUFNYSA-N

Molecular Formula

  • C22-H23-N-O10

Molecular Weight

  • 461.4207
 
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Names and Synonyms

Name of Substance

  • RO-48-2485-(3-o-beta,D-glucuronide)

Synonyms

  • beta-D-Glucopyranosiduronic acid, 3-(acetylamino)-2-hydroxy-5-(4-methylbenzoyl)phenyl
  • RO-48-2485-(3-o-beta,D-glucuronide)
  • UNII-893N30363M

Registry Numbers

CAS Registry Number

  • 254902-31-3

FDA UNII

  • 893N30363M

System Generated Number

  • 0254902313

Structure Descriptors

InChI

1S/C22H23NO10/c1-9-3-5-11(6-4-9)15(25)12-7-13(23-10(2)24)16(26)14(8-12)32-22-19(29)17(27)18(28)20(33-22)21(30)31/h3-8,17-20,22,26-29H,1-2H3,(H,23,24)(H,30,31)/t17-,18-,19+,20-,22+/m0/s1

InChIKey

DGKWLJHUDSLAAU-SXFAUFNYSA-N

Smiles

Cc1ccc(cc1)C(=O)c2cc(c(c(c2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)O)NC(=O)C