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Substance Name: Benzododecinium bromide
RN: 7281-04-1
UNII: IRY12B2TQ6
InChIKey: KHSLHYAUZSPBIU-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H38-N.Br

Molecular Weight

  • 384.442
 
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Names and Synonyms

Results Name

  • Benzododecinium bromide

Name of Substance

  • Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide
  • Benzododecinium bromide
  • Lauralkonium bromide
  • N-Dodecyl-N,N-dimethylbenzenemethanaminium bromide

Synonyms

  • Ammonyl BR 1244
  • Bacfor BL
  • Benzododecinium bromatum
  • Benzododecinium bromide
  • Benzyldimethyldodecylammonium bromide
  • Benzyldodecyldimethylammonium bromide
  • Bromek dwumetylolaurylobenzyloamoniowy
  • Bromek dwumetylolaurylobenzyloamoniowy [Polish]
  • Caswell No. 416B
  • Dimethyl laurylbenzene ammonium bromide
  • Dodecyl dimethyl benzyl ammonium bromide
  • EINECS 230-698-4
  • EPA Pesticide Chemical Code 069123
  • N-Dodecyl-N,N-dimethylbenzenemethanaminium bromide
  • Sinnoquat BL 80
  • Sinnoquat BL 95
  • Sterinol
  • UNII-IRY12B2TQ6

Systematic Names

  • Ammonium, benzyldodecyldimethyl-, bromide
  • Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide
  • Benzenemethanaminium, N-dodecyl-N,N-dimethyl-, bromide (1:1)
  • Benzyldodecyldimethylammonium bromide

Registry Numbers

CAS Registry Number

  • 7281-04-1

FDA UNII

  • IRY12B2TQ6

Related Registry Number

  • 10328-35-5 (Parent)

System Generated Number

  • 0007281041

Molecular Formulas

Molecular Formula

  • C21-H38-N.Br

Molecular Formula Fragments

  • Br
  • C21-H38-N
  • COMPONENT

Structure Descriptors

InChI

1S/C21H38N.BrH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1

InChIKey

KHSLHYAUZSPBIU-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 277mg/kg (277mg/kg)   Pharmazie. Vol. 40, Pg. 273, 1985.
rat LD50 intraperitoneal 90mg/kg (90mg/kg) VASCULAR: STRICTIRA; CJAMGES OM VESSE;S Bromatologia i Chemia Toksykologiczna. Vol. 7, Pg. 161, 1974.
rat LD50 oral 230mg/kg (230mg/kg)   Roczniki Panstwowego Zakladu Higieny. Vol. 17, Pg. 543, 1966.