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Substance Name: Cetrimonium saccharinate
RN: 2478-29-7
UNII: 7LB6MR3885
InChIKey: GDORIPGFFDIMOW-UHFFFAOYSA-M

Molecular Formula

  • C19-H42-N.C7-H4-N-O3-S

Molecular Weight

  • 466.726
 
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Names and Synonyms

Name of Substance

  • 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one, 1,1-dioxide (1:1)
  • Cetrimonium saccharinate

Synonyms

  • Cetyltrimethylammonium saccharinate
  • EINECS 219-608-4
  • UNII-7LB6MR3885

Systematic Names

  • 1-Hexadecanaminium, N,N,N-trimethyl-, salt with 1,2-benzisothiazol-3(2H)-one 1,1-dioxide (1:1)
  • Hexadecyltrimethylammonium, salt with 1,2-benzisothiazol-3(2H)-one1,1-dioxide (1:1)

Registry Numbers

CAS Registry Number

  • 2478-29-7

FDA UNII

  • 7LB6MR3885

System Generated Number

  • 0002478297

Molecular Formulas

Molecular Formula

  • C19-H42-N.C7-H4-N-O3-S

Molecular Formula Fragments

  • C19-H42-N
  • C7-H4-N-O3-S
  • COMPONENT

Structure Descriptors

InChI

1S/C19H42N.C7H5NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h5-19H2,1-4H3;1-4H,(H,8,9)/q+1;/p-1

InChIKey

GDORIPGFFDIMOW-UHFFFAOYSA-M

Smiles

c12c(C(=O)[NH-]S1(=O)=O)cccc2.CCCCCCCCCCCCCCCC[N+](C)(C)C