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Substance Name: Sodium 3-((3-(dimethylamino)propyl)((tridecafluorohexyl)sulfonyl)amino)-2-hydroxy-1-propanesulfonate
RN: 73772-32-4
UNII: 4728AT5H4E
InChIKey: NPPLFZIZNHHMEY-UHFFFAOYSA-M

Classification Code

  • TSCA Flag S (Substance is Identified in a Proposed or Final SNUR (Significant New Use Rule) under TSCA)

Molecular Formula

  • C14-H19-F13-N2-O6-S2.Na

Molecular Weight

  • 644.4
 
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Names and Synonyms

Name of Substance

  • Sodium 3-((3-(dimethylamino)propyl)((tridecafluorohexyl)sulfonyl)amino)-2-hydroxy-1-propanesulfonate

Synonyms

  • EINECS 277-592-4
  • UNII-4728AT5H4E

Systematic Names

  • 1-Propanesulfonic acid, 3-((3-(dimethylamino)propyl)((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-2-hydroxy-, sodium salt (1:1)
  • 1-Propanesulfonic acid, 3-((3-(dimethylamino)propyl)((tridecafluorohexyl)sulfonyl)amino)-2-hydroxy-, monosodium salt
  • Sodium 3-((3-(dimethylamino)propyl)((tridecafluorohexyl)sulphonyl)amino)-2-hydroxypropanesulphonate

Registry Numbers

CAS Registry Number

  • 73772-32-4

FDA UNII

  • 4728AT5H4E

System Generated Number

  • 0073772324

Molecular Formulas

Molecular Formula

  • C14-H19-F13-N2-O6-S2.Na

Molecular Formula Fragments

  • C14-H19-F13-N2-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C14H19F13N2O6S2.Na/c1-28(2)4-3-5-29(6-8(30)7-36(31,32)33)37(34,35)14(26,27)12(21,22)10(17,18)9(15,16)11(19,20)13(23,24)25;/h8,30H,3-7H2,1-2H3,(H,31,32,33);/q;+1/p-1

InChIKey

NPPLFZIZNHHMEY-UHFFFAOYSA-M

Smiles

[Na+].C([C@@H](C[N@@](S(=O)(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCCN(C)C)O)S(=O)(=O)[O-]