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Substance Name: Cetrimonium
RN: 6899-10-1
UNII: Z7FF1XKL7A
InChIKey: RLGQACBPNDBWTB-UHFFFAOYSA-N

Classification Codes

  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Detergents
  • Surface-Active Agents

Molecular Formula

  • C19-H42-N

Molecular Weight

  • 284.5478
 
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Names and Synonyms

Name of Substance

  • Cetrimonium

Synonyms

  • 4-04-00-00819 (Beilstein Handbook Reference)
  • BRN 1772803
  • Cetrimonium
  • Cetrimonum
  • Cetyltrimethylammonium
  • Cetyltrimethylammonium cation
  • Cetyltrimethylammonium ion
  • Hexadecyltrimethylammonium
  • Hexadecyltrimethylammonium ion
  • N,N,N-Trimethyl-1-hexadecanaminium
  • Trimethylhexadecylammonium
  • UNII-Z7FF1XKL7A

Systematic Names

  • 1-Hexadecanaminium, N,N,N-trimethyl- (9CI)
  • Ammonium, hexadecyltrimethyl-
  • N,N,N-Trimethyl-1-hexadecanaminium bromide

Registry Numbers

CAS Registry Number

  • 6899-10-1

FDA UNII

  • Z7FF1XKL7A

Related Registry Numbers

  • 112-02-7 (chloride)
  • 505-86-2 (hydroxide)
  • 57-09-0 (bromide)
  • 65060-02-8 (methyl sulfate)
  • 68214-07-3 (monosulfate)
  • 7192-88-3 (iodide)

System Generated Number

  • 0006899101

Structure Descriptors

InChI

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

InChIKey

RLGQACBPNDBWTB-UHFFFAOYSA-N

Smiles

C(CCCCCCCCCCCCC)CC[N+](C)(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral 410mg/kg (410mg/kg)   "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 690, 1969.