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Substance Name: 4'-Hydroxycelecoxib
RN: 170571-00-3
UNII: 1DIW8DT7Q3
InChIKey: ICRSYPPLGADZKA-UHFFFAOYSA-N

Molecular Formula

  • C17-H14-F3-N3-O3-S

Molecular Weight

  • 397.3756
 
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Names and Synonyms

Name of Substance

  • 4'-Hydroxycelecoxib

Synonyms

  • 4'-Hydroxycelecoxib
  • 4-(5-(4-Hydroxymethylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide
  • Benzenesulfonamide, 4-(5-(4-(hydroxymethyl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-
  • Celecoxib metabolite M3
  • UNII-1DIW8DT7Q3

Registry Numbers

CAS Registry Number

  • 170571-00-3

FDA UNII

  • 1DIW8DT7Q3

System Generated Number

  • 0170571003

Structure Descriptors

InChI

1S/C17H14F3N3O3S/c18-17(19,20)16-9-15(12-3-1-11(10-24)2-4-12)23(22-16)13-5-7-14(8-6-13)27(21,25)26/h1-9,24H,10H2,(H2,21,25,26)

InChIKey

ICRSYPPLGADZKA-UHFFFAOYSA-N

Smiles

c1cc(ccc1CO)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F