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Substance Name: Cetalkonium bromide
RN: 3529-04-2
UNII: UHU0390Z3J
InChIKey: DLNWMWYCSOQYSQ-UHFFFAOYSA-M

Molecular Formula

  • C25-H46-N.Br

Molecular Weight

  • 440.549
 
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Names and Synonyms

Name of Substance

  • Cetalkonium bromide

Synonyms

  • EINECS 222-556-5
  • UNII-UHU0390Z3J

Systematic Name

  • Benzyl(hexadecyl)dimethylammonium bromide

Registry Numbers

CAS Registry Number

  • 3529-04-2

FDA UNII

  • UHU0390Z3J

Related Registry Number

  • 10328-34-4 (Parent)

System Generated Number

  • 0003529042

Molecular Formulas

Molecular Formula

  • C25-H46-N.Br

Molecular Formula Fragments

  • Br
  • C25-H46-N
  • COMPONENT

Structure Descriptors

InChI

1S/C25H46N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1

InChIKey

DLNWMWYCSOQYSQ-UHFFFAOYSA-M

Smiles

c1(ccccc1)C[N+](C)(C)CCCCCCCCCCCCCCCC.[BrH-]