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Substance Name: Benzethonium chloride [USP:INN:BAN:JAN]
RN: 121-54-0
UNII: PH41D05744
InChIKey: UREZNYTWGJKWBI-UHFFFAOYSA-M

Note

  • Bactericidal cationic quaternary ammonium surfactant used as a topical anti-infective agent. It is an ingredient in medicaments, deodorants, mouthwashes, etc., and is used to disinfect apparatus, etc., in the food processing and pharmaceutical industries, in surgery, and also as a preservative. The compound is toxic orally as a result of neuromuscular blockade.

Molecular Formula

  • C27-H42-N-O2.Cl

Molecular Weight

  • 448.0868
 

Classification Codes

  • Agricultural Chemical
  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Anti-Infective, Topical
  • Drug / Therapeutic Agent
  • Germicide, Bactericide, Disinfectant
  • Herbicide
  • Mutation Data
  • Pharmaceutic Aid (Preservative)
  • Skin / Eye Irritant
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- ethyl)-, chloride
  • Benzethonium chloride
  • Benzethonium chloride [USP:INN:BAN:JAN]
  • Diisobutyl phenoxy ethoxy ethyl dimethyl benzyl ammonium chloride
  • N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)- ethyl)benzenemethanaminium chloride

MeSH Heading

  • Benzethonium

Synonyms

  • (2-(2-(4-Diisobutylphenoxy)ethoxy)ethyl)dimethylbenzylammonium chloride
  • Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride
  • Anti-germ 77
  • Antiseptol
  • Antiseptol (quarternary compound)
  • Banagerm
  • Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride
  • Benzethoni chloridum
  • Benzethonii chloridum
  • Benzethonii chloridum [INN-Latin]
  • Benzethonium chloride
  • Benzethonium chloride 1622
  • Benzethoniumchloride
  • Benzetonio cloruro
  • Benzetonio cloruro [DCIT]
  • Benzetonium chloride
  • Benzyldimethyl(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride
  • Benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)ammonium chloride
  • Benzyldimethyl-p-(1,1,3,3-tetramethylbutyl)phenoxyethoxy-ethylammonium chloride
  • BZT
  • BZT (VAN)
  • Caswell No. 614B
  • CCRIS 4748
  • Chlorure de benzethonium
  • Chlorure de benzethonium [INN-French]
  • Cloruro de benzetonio
  • Cloruro de benzetonio [INN-Spanish]
  • Diapp
  • Diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride
  • Diisobutylphenoxyethoxyethyldimethyl benzyl ammonium chloride
  • Disilyn
  • EC 204-479-9
  • EINECS 204-479-9
  • EPA Pesticide Chemical Code 069154
  • Formula 144
  • HSDB 567
  • Hyamine
  • Hyamine 1622
  • Inactisol
  • Kylacol
  • Microklenz
  • N,N-Dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-benzenemethanaminium chloride
  • NCI-C61494
  • NSC 20200
  • p-Diisobutyl phenoxyethoxyethyl dimethyl benzylammonium chloride
  • p-tert-Octylphenoxyethoxyethyldimethylbenzylammonium chloride
  • Phemeride
  • Phemerol chloride
  • Phemithyn
  • Polymine D
  • QAC
  • Quatrachlor
  • RTECS BO6244000
  • Sanizol
  • Solamin
  • Solamine
  • UNII-PH41D05744

Systematic Names

  • Ammonium, benzyldimethyl(2-(2-(p-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride
  • Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride
  • Benzenemethanaminium, N,N-dimethyl-N-(2-(2-(4-(1,1,3,3-tetramethylbutyl)phenoxy)ethoxy)ethyl)-, chloride (1:1)
  • Benzethonium chloride
  • Hyamine

Superlist Names

  • 2-(2-(p-(Diisobutyl)phenoxy)ethoxy)ethyl dimethyl benzyl ammonium chloride
  • Benzethonium chloride
  • p-Diisobutylphenoxyethoxyethyl dimethyl benzyl ammonium chloride

Registry Numbers

CAS Registry Number

  • 121-54-0

FDA UNII

  • PH41D05744

Other Registry Numbers

  • 324034-09-5
  • 39362-38-4

System Generated Number

  • 0000121540

Molecular Formulas

Molecular Formula

  • C27-H42-N-O2.Cl

Molecular Formula Fragments

  • C27-H42-N-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C27H42NO2.ClH/c1-26(2,3)22-27(4,5)24-13-15-25(16-14-24)30-20-19-29-18-17-28(6,7)21-23-11-9-8-10-12-23;/h8-16H,17-22H2,1-7H3;1H/q+1;/p-1

InChIKey

UREZNYTWGJKWBI-UHFFFAOYSA-M

Smiles

c1(ccc(cc1)OCCOCC[N+](Cc1ccccc1)(C)C)C(CC(C)(C)C)(C)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 7813ug/kg (7.813mg/kg)   Journal of the American College of Toxicology. Vol. 4(5), Pg. 65, 1985.
mouse LD50 intravenous 30mg/kg (30mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 40, Pg. 267, 1951.
mouse LD50 oral 338mg/kg (338mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 120, Pg. 511, 1965.
rat LD50 intraperitoneal 16500ug/kg (16.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION
Fukuoka Shika Daigaku Gakkai Zasshi. Journal of Fukuoka Dental College. Vol. 9, Pg. 729, 1983.
rat LD50 intravenous 19mg/kg (19mg/kg) BLOOD: CHANGES IN CELL COUNT (UNSPECIFIED)

KIDNEY, URETER, AND BLADDER: HEMATURIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Soap and Chemical Specialties. Vol. 30, Pg. 147, 1954.
rat LD50 oral 368mg/kg (368mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 120, Pg. 511, 1965.
rat LD50 subcutaneous 119mg/kg (119mg/kg)   National Technical Information Service. Vol. PB195-158,
rat LD50 unreported 420mg/kg (420mg/kg)   "Merck Index; an Encyclopedia of Chemicals, Drugs, and Biologicals", 11th ed., Rahway, NJ 07065, Merck & Co., Inc. 1989Vol. 11, Pg. 167, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.000 (none)   EST
Atmospheric OH Rate Constant 9.55E-11 cm3/molecule-sec 25 EST

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