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Substance Name: IS-741 calcium
RN: 141284-77-7
UNII: 79940CUB9J
InChIKey: FVXSTPVMJKSRNB-UHFFFAOYSA-L

Molecular Formula

  • 2C15-H19-F3-N3-O3-S.Ca

Molecular Weight

  • 796.8642
 
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Names and Synonyms

Name of Substance

  • IS-741 calcium

Synonyms

  • Cyclohexanecarboxamide, N-(2-((ethylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-, calcium salt (2:1)
  • IS-741 calcium
  • IS-741-(Ca salt(2:1))
  • UNII-79940CUB9J

Registry Numbers

CAS Registry Number

  • 141284-77-7

FDA UNII

  • 79940CUB9J

System Generated Number

  • 0141284777

Structure Descriptors

InChI

1S/2C15H20F3N3O3S.Ca/c2*1-2-25(23,24)21-13-12(8-11(9-19-13)15(16,17)18)20-14(22)10-6-4-3-5-7-10;/h2*8-10H,2-7H2,1H3,(H2,19,20,21,22);/q;;+2/p-2

InChIKey

FVXSTPVMJKSRNB-UHFFFAOYSA-L

Smiles

[Ca+2].CCS(=O)(=O)Nc1ncc(cc1[N-]C(=O)C2CCCCC2)C(F)(F)F.CCS(=O)(=O)Nc3ncc(cc3[N-]C(=O)C4CCCCC4)C(F)(F)F