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Substance Name: 1-(3-((4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoyl)amino)-5-(trifluoromethyl)phenyl)-1H-imidazole-4-carboxylic acid
RN: 1807607-72-2
UNII: J4WJ4450U9
InChIKey: UOTFILZVVPQYTQ-UHFFFAOYSA-N

Molecular Formula

  • C28-H20-F3-N7-O3

Molecular Weight

  • 559.506
 
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Names and Synonyms

Name of Substance

  • 1-(3-((4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoyl)amino)-5-(trifluoromethyl)phenyl)-1H-imidazole-4-carboxylic acid

Synonyms

  • 1-(3-((4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoyl)amino)-5-(trifluoromethyl)phenyl)-1H-imidazole-4-carboxylic acid
  • 1H-Imidazole-4-carboxylic acid, 1-(3-((4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoyl)amino)-5-(trifluoromethyl)phenyl)-
  • Nilotinib metabolite P36.5
  • UNII-J4WJ4450U9

Registry Numbers

CAS Registry Number

  • 1807607-72-2

FDA UNII

  • J4WJ4450U9

System Generated Number

  • 1807607722

Structure Descriptors

InChI

1S/C28H20F3N7O3/c1-16-4-5-17(9-23(16)37-27-33-8-6-22(36-27)18-3-2-7-32-13-18)25(39)35-20-10-19(28(29,30)31)11-21(12-20)38-14-24(26(40)41)34-15-38/h2-15H,1H3,(H,35,39)(H,40,41)(H,33,36,37)

InChIKey

UOTFILZVVPQYTQ-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1Nc2nccc(n2)c3cccnc3)C(=O)Nc4cc(cc(c4)C(F)(F)F)n5cnc(c5)C(=O)O