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Substance Name: Domiphen bromide [USAN:INN:BAN:JAN]
RN: 538-71-6
UNII: R4CY19YS7C
InChIKey: OJIYIVCMRYCWSE-UHFFFAOYSA-M

Classification Codes

  • Agricultural Chemical
  • Anti-Infective, Topical
  • Drug / Therapeutic Agent
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data

Molecular Formula

  • C22-H40-N-O.Br

Molecular Weight

  • 414.468
 
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Names and Synonyms

Name of Substance

  • 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide
  • Dodecyldimethyl (2-phenoxyethyl) ammonium bromide
  • Domiphen
  • Domiphen bromide
  • Domiphen bromide [USAN:INN:BAN:JAN]

Synonyms

  • Ammonium bromide, dodecyldimethyl(2-phenoxyethyl)-
  • beta-Phenoxyethyldimethyldodecylammonium bromide
  • Bradasol
  • Bradonit
  • Bradoral
  • Bradosol bromide
  • Bromure de domiphene
  • Bromure de domiphene [INN-French]
  • Bromuro de domifeno
  • Bromuro de domifeno [INN-Spanish]
  • Dodecyldimethyl(2-phenoxyethyl)ammonium bromide
  • Domiphen bromide
  • Domipheni bromidum
  • Domipheni bromidum [INN-Latin]
  • EINECS 208-702-0
  • Fungitex
  • Fungitex R
  • HSDB 7236
  • NSC-39415
  • Oradol
  • Phenododecinium bromide
  • UNII-R4CY19YS7C

Systematic Names

  • 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide
  • 1-Dodecanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-, bromide (1:1)
  • Ammonium, dimethyldodecyl(2-phenoxyethyl)-, bromide
  • Ammonium, dodecyldimethyl(2-phenoxyethyl)-, bromide
  • Domiphen bromide

Registry Numbers

CAS Registry Number

  • 538-71-6

FDA UNII

  • R4CY19YS7C

Other Registry Numbers

  • 12040-53-8
  • 138846-42-1
  • 2702-99-0

System Generated Number

  • 0000538716

Molecular Formulas

Molecular Formula

  • C22-H40-N-O.Br

Molecular Formula Fragments

  • Br
  • C22-H40-N-O
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C22H40NO.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22;/h13-15,17-18H,4-12,16,19-21H2,1-3H3;1H/q+1;/p-1

InChIKey

OJIYIVCMRYCWSE-UHFFFAOYSA-M

Smiles

[Br-].CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo intraperitoneal 10mg/kg (10mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 1, Pg. 222, 1955.
mouse LD50 intravenous 31mg/kg (31mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 6, Pg. 307, 1947.
rabbit LD50 intravenous 11mg/kg (11mg/kg)   Drugs in Japan Vol. 6, Pg. 351, 1982.
rat LD50 intraperitoneal 40mg/kg (40mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 6, Pg. 307, 1947.
rat LD50 intravenous 18mg/kg (18mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 6, Pg. 307, 1947.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 112.5 deg C   EXP
log P (octanol-water) 4.200 (none)   EST
Water Solubility 5.00E+05 mg/L   EXP
Atmospheric OH Rate Constant 8.62E-11 cm3/molecule-sec 25 EST

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