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Substance Name: p-Hydroxymesocarb glucuronide
RN: 1235586-25-0
UNII: 9BI734O27D
InChIKey: DDQZEULADNPLPC-NHTXKFPZSA-N

Molecular Formula

  • C24-H26-N4-O9

Molecular Weight

  • 514.4884
 
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Names and Synonyms

Name of Substance

  • p-Hydroxymesocarb glucuronide

Synonyms

  • 1,2,3-Oxadiazolium, 5-((((4-(beta-D-glucopyranuronosyloxy)phenyl)amino)carbonyl)amino)-3-(1-methyl-2-phenylethyl)-, inner salt
  • Hydroxymesocarb glucuronide
  • p-Hydroxymesocarb glucuronide
  • UNII-9BI734O27D

Registry Numbers

CAS Registry Number

  • 1235586-25-0

FDA UNII

  • 9BI734O27D

System Generated Number

  • 1235586250

Structure Descriptors

InChI

1S/C24H26N4O9/c1-13(11-14-5-3-2-4-6-14)28-12-17(37-27-28)26-24(34)25-15-7-9-16(10-8-15)35-23-20(31)18(29)19(30)21(36-23)22(32)33/h2-10,12-13,18-21,23,29-31H,11H2,1H3,(H2-,25,26,27,32,33,34)/t13?,18-,19-,20+,21-,23+/m0/s1

InChIKey

DDQZEULADNPLPC-NHTXKFPZSA-N

Smiles

CC(Cc1ccccc1)[n+]2cc(NC(=O)Nc3ccc(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)[O-])cc3)on2