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Substance Name: Dimethyl paba ethyl cetyldimonium tosylate
RN: 101623-43-2
UNII: 05DOV6F5RI
InChIKey: XPBPCLLCXDTQFJ-UHFFFAOYSA-M

Molecular Formula

  • C29-H53-N2-O2.C7-H7-O3-S

Molecular Weight

  • 632.945
 
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Names and Synonyms

Name of Substance

  • Dimethyl paba ethyl cetyldimonium tosylate

Synonyms

  • 1-Hexadecanaminium, N-(2-((4-(dimethylamino)benzoyl)oxy)ethyl)-N,N-dimethyl-, 4-methylbenzenesulfonate (1:1)
  • Dimethyl paba ethyl cetyldimonium tosylate
  • UNII-05DOV6F5RI

Registry Numbers

CAS Registry Number

  • 101623-43-2

FDA UNII

  • 05DOV6F5RI

System Generated Number

  • 0101623432

Structure Descriptors

InChI

1S/C29H53N2O2.C7H8O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-31(4,5)25-26-33-29(32)27-20-22-28(23-21-27)30(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h20-23H,6-19,24-26H2,1-5H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1

InChIKey

XPBPCLLCXDTQFJ-UHFFFAOYSA-M

Smiles

CCCCCCCCCCCCCCCC[N+](C)(C)CCOC(=O)c1ccc(cc1)N(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]