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Substance Name: Sodium 3-(N-(3-(dimethylamino)propyl)heptadecafluorooctanesulfonamido)-2-hydroxypropane-1-sulfonate
RN: 94133-90-1
UNII: 958F778B42
InChIKey: WALPFEROPZNJCB-UHFFFAOYSA-M

Classification Code

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

Molecular Formula

  • C16-H19-F17-N2-O6-S2.Na

Molecular Weight

  • 744.414
 
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Names and Synonyms

Name of Substance

  • Sodium 3-(N-(3-(dimethylamino)propyl)heptadecafluorooctanesulfonamido)-2-hydroxypropane-1-sulfonate

Synonyms

  • 3-((3-(Dimethylamino)propyl)((heptadecafluorooctyl)sulfonyl)amino)-2-hydroxy-1-propanesulfonic acid, sodium salt
  • EINECS 302-754-9
  • UNII-958F778B42

Systematic Names

  • 1-Propanesulfonic acid, 3-((3-(dimethylamino)propyl)((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoroctyl)sulfonyl)amino)-2-hydroxy-, sodium salt (1:1)
  • 1-Propanesulfonic acid, 3-((3-(dimethylamino)propyl)((1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl)amino)-2-hydroxy-, sodium salt (1:1)
  • 1-Propanesulfonic acid, 3-((3-(dimethylamino)propyl)((heptadecafluorooctyl)sulfonyl)amino)-2-hydroxy-, monosodium salt
  • Sodium 3-((3-(dimethylamino)propyl)((heptadecafluorooctyl)sulphonyl)amino)-2-hydroxypropanesulphonate

Registry Numbers

CAS Registry Number

  • 94133-90-1

FDA UNII

  • 958F778B42

System Generated Number

  • 0094133901

Molecular Formulas

Molecular Formula

  • C16-H19-F17-N2-O6-S2.Na

Molecular Formula Fragments

  • C16-H19-F17-N2-O6-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C16H19F17N2O6S2.Na/c1-34(2)4-3-5-35(6-8(36)7-42(37,38)39)43(40,41)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31;/h8,36H,3-7H2,1-2H3,(H,37,38,39);/q;+1/p-1

InChIKey

WALPFEROPZNJCB-UHFFFAOYSA-M

Smiles

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