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Substance Name: Cetalkonium chloride [USAN:INN:BAN]
RN: 122-18-9
UNII: 85474O1N9D
InChIKey: SXPWTBGAZSPLHA-UHFFFAOYSA-M

Classification Codes

  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Anti-Infective, Topical
  • Skin / Eye Irritant
  • Surface-Active Agents

Molecular Formula

  • C25-H46-N.Cl

Molecular Weight

  • 396.098
 
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Names and Synonyms

Name of Substance

  • Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride
  • Cetalkonium chloride
  • Cetalkonium chloride [USAN:INN:BAN]
  • Cetyl dimethyl benzyl ammonium chloride
  • N-Hexadecyl-N,N-dimethylbenzenemethanaminium chloride

Synonyms

  • Acinol
  • AI3-03464
  • Ammonium, benzylhexadecyldimethyl-, chloride
  • Ammonyx G
  • Ammonyx T
  • Baktonium
  • Banicol
  • Benzaletas
  • Benzenemethanaminium, N-hexadecyl, N,N-dimethyl-, chloride
  • Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride
  • Benzyl hexadecyl dimethyl ammonium chloride
  • Benzylcetyldimethylammonium chloride
  • Benzyldimethylcetylammonium chloride
  • Benzyldimethylhexadecylammonium chloride
  • Benzylhexadecyldimethylammonium chloride
  • Bicetonium
  • Bonjela
  • Cdbac
  • Cetalconio cloruro
  • Cetalconio cloruro [DCIT]
  • Cetalkonii chloridum
  • Cetalkonii chloridum [INN-Latin]
  • Cetalkonium chloride
  • Cetol
  • Cetyl zephiran
  • Cetylbenzyldimethylammonium chloride
  • Cetyldimethylbenzylammonium chloride
  • Cetylon
  • Chlorure de cetalkonium
  • Chlorure de cetalkonium [INN-French]
  • Cloruro de cetalconio
  • Cloruro de cetalconio [INN-Spanish]
  • Dehyquart CBB
  • Dehyquart CDB
  • Dimethylbenzylcetylammonium chloride
  • Dimethylbenzylhexadecylammonium chloride
  • Dmcbac
  • EINECS 204-526-3
  • Hexadecylbenzyldimethylammonium chloride
  • Hexadecyldimethylbenzylammonium chloride
  • N-Benzyl-N-cetyldimethylammonium chloride
  • n-Hexadecyldimethylbenzylammonium chloride
  • NSC 32942
  • Pharycidin concentrate
  • Rodalon
  • Sanisol C
  • Spilan
  • Tetraseptan
  • UNII-85474O1N9D
  • WIN 357
  • Winzer solution
  • Zettyn

Systematic Names

  • Ammonium, benzyldimethylhexadecyl-, chloride
  • Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride
  • Benzenemethanaminium, N-hexadecyl-N,N-dimethyl-, chloride (1:1)
  • Cetalkonium chloride

Registry Numbers

CAS Registry Number

  • 122-18-9

FDA UNII

  • 85474O1N9D

Other Registry Numbers

  • 52628-07-6
  • 60484-28-8
  • 89004-36-4

Related Registry Number

  • 10328-34-4 (Parent)

System Generated Number

  • 0000122189

Molecular Formulas

Molecular Formula

  • C25-H46-N.Cl

Molecular Formula Fragments

  • C25-H46-N
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C25H46N.ClH/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

SXPWTBGAZSPLHA-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 39, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 59 deg C   EXP
log P (octanol-water) 4.890 (none)   EST
Atmospheric OH Rate Constant 4.64E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.