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Substance Name: IS-741 sodium monohydrate
RN: 351999-87-6
UNII: 8D7CX8WO6Z
InChIKey: QBUPAAMUKRHOPD-UHFFFAOYSA-M

Molecular Formula

  • C15-H19-F3-N3-O3-S.Na.H2-O

Molecular Weight

  • 419.3979
 
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Names and Synonyms

Name of Substance

  • IS-741 sodium monohydrate

Synonyms

  • Cyclohexanecarboxamide, N-(2-((ethylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, monosodium salt, monohydrate
  • Cyclohexanecarboxamide, N-(2-((ethylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, sodium salt, hydrate (1:1:1)
  • IS-741 sodium monohydrate
  • IS-741-(sodium salt, hydrate)
  • UNII-8D7CX8WO6Z

Registry Numbers

CAS Registry Number

  • 351999-87-6

FDA UNII

  • 8D7CX8WO6Z

System Generated Number

  • 0351999876

Structure Descriptors

InChI

1S/C15H20F3N3O3S.Na.H2O/c1-2-25(23,24)21-13-12(8-11(9-19-13)15(16,17)18)20-14(22)10-6-4-3-5-7-10;;/h8-10H,2-7H2,1H3,(H2,19,20,21,22);;1H2/q;+1;/p-1

InChIKey

QBUPAAMUKRHOPD-UHFFFAOYSA-M

Smiles

O.[Na+].CCS(=O)(=O)[N-]c1ncc(cc1NC(=O)C2CCCCC2)C(F)(F)F