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Substance Name: CGA-137053
RN: 1219941-93-1
UNII: CAK4Q3FQ5D
InChIKey: NABFARLFWGQMRP-ONEGZZNKSA-N

Molecular Formula

  • C22-H21-N3-O9-S2

Molecular Weight

  • 535.5519
 
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Names and Synonyms

Name of Substance

  • CGA-137053

Synonyms

  • Benzenesulfonic acid, 5-((1,3-dioxobutyl)amino)-2-(2-(4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)-2-sulfophenyl)ethenyl)-
  • CGA-137053
  • UNII-CAK4Q3FQ5D

Registry Numbers

CAS Registry Number

  • 1219941-93-1

FDA UNII

  • CAK4Q3FQ5D

System Generated Number

  • 1219941931

Structure Descriptors

InChI

1S/C22H21N3O9S2/c1-13-9-22(28)25(24-13)18-8-6-16(20(12-18)36(32,33)34)4-3-15-5-7-17(11-19(15)35(29,30)31)23-21(27)10-14(2)26/h3-9,11-12,28H,10H2,1-2H3,(H,23,27)(H,29,30,31)(H,32,33,34)/b4-3+

InChIKey

NABFARLFWGQMRP-ONEGZZNKSA-N

Smiles

Cc1cc(n(n1)c2ccc(c(c2)S(=O)(=O)O)/C=C/c3ccc(cc3S(=O)(=O)O)NC(=O)CC(=O)C)O