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Substance Name: 4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid
RN: 170571-01-4
UNII: EQJ1364UKF
InChIKey: WTHNOVFEXONZMI-UHFFFAOYSA-N

Molecular Formula

  • C17-H12-F3-N3-O4-S

Molecular Weight

  • 411.3588
 
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Names and Synonyms

Name of Substance

  • 4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid

Synonyms

  • 4-(1-(4-(Aminosulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoic acid
  • Celecoxib metabolite M2
  • UNII-EQJ1364UKF

Registry Numbers

CAS Registry Number

  • 170571-01-4

FDA UNII

  • EQJ1364UKF

System Generated Number

  • 0170571014

Structure Descriptors

InChI

1S/C17H12F3N3O4S/c18-17(19,20)15-9-14(10-1-3-11(4-2-10)16(24)25)23(22-15)12-5-7-13(8-6-12)28(21,26)27/h1-9H,(H,24,25)(H2,21,26,27)

InChIKey

WTHNOVFEXONZMI-UHFFFAOYSA-N

Smiles

c1cc(ccc1c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F)C(=O)O