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Substance Name: Setileuton tosylate
RN: 1137737-87-1
UNII: S184B1D161
InChIKey: NDAZWYKPMVDGGE-BOXHHOBZSA-N

Molecular Formula

  • C22-H17-F4-N3-O4.C7-H8-O3-S

Molecular Weight

  • 635.5833
 
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Names and Synonyms

Name of Substance

  • Setileuton tosylate

Synonyms

  • 2H-1-Benzopyran-2-one, 4-(4-fluorophenyl)-7-(((5-((1S)-1-hydroxy-1-(trifluoromethyl)propyl)-1,3,4-oxadiazol-2-yl)amino)methyl)-, 4-methylbenzenesulphonate (1:1) (salt)
  • MK633 tosylate
  • UNII-S184B1D161

Registry Numbers

CAS Registry Number

  • 1137737-87-1

FDA UNII

  • S184B1D161

System Generated Number

  • 1137737871

Structure Descriptors

InChI

1S/C22H17F4N3O4.C7H8O3S/c1-2-21(31,22(24,25)26)19-28-29-20(33-19)27-11-12-3-8-15-16(10-18(30)32-17(15)9-12)13-4-6-14(23)7-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-10,31H,2,11H2,1H3,(H,27,29);2-5H,1H3,(H,8,9,10)/t21-;/m0./s1

InChIKey

NDAZWYKPMVDGGE-BOXHHOBZSA-N

Smiles

CC[C@](O)(c1oc(NCc2ccc3C(=CC(=O)Oc3c2)c4ccc(F)cc4)nn1)C(F)(F)F.Cc5ccc(cc5)S(=O)(=O)O