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Substance Name: Hexafluorenium bromide [USAN:USP]
RN: 317-52-2
UNII: B64NJG83K2
InChIKey: WDEFPRUEZRUYNW-UHFFFAOYSA-L

Classification Codes

  • Drug / Therapeutic Agent
  • Human Data
  • Relaxant (Skeletal Muscle)
  • Synergist (Succinylcholine)

Molecular Formula

  • C36-H42-N2.2Br

Molecular Weight

  • 662.55
 
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Names and Synonyms

Name of Substance

  • Hexafluorenium bromide [USAN:USP]
  • Hexafluronium bromide [INN]

Synonyms

  • 1,6-Bis(9 fluorenyldimethyl-ammonium)hexane bromide
  • Ammonium, hexamethylenebis(fluoren-9-yldimethyl-, bromide
  • Bromure d'hexafluronium
  • Bromure d'hexafluronium [INN-French]
  • Bromuro de hexafluronio
  • Bromuro de hexafluronio [INN-Spanish]
  • EINECS 206-265-0
  • Esafluronio bromuro
  • Esafluronio bromuro [DCIT]
  • Hexafluorenium bromide
  • Hexafluorenium dibromide
  • Hexafluronii bromidum
  • Hexafluronii bromidum [INN-Latin]
  • Hexafluronium bromide
  • Hexamethylene bis(9-fluorenyldimethylammonium)dibromide
  • Hexamethylenebis(9-fluorenyldimethylammonium bromide)
  • Hexamethylenebis(dimethyl-9-fluorenylammonium bromide)
  • Hexamethylenebis(fluoren-9-yldimethylammonium) dibromide
  • IN-117
  • Milaxen
  • Mylaxen
  • N,N'-Di(9-fluorenyl)-N,N,N',N'-tetramethyly-hexamethylendi(ammoniumbromid)
  • NSC-19477
  • UNII-B64NJG83K2

Systematic Names

  • 1,6-Hexanediaminium, N,N'-di-9H-fluoren-9-yl-N,N,N',N'-tetramethyl-, dibromide
  • Ammonium, hexamethylenebis(fluoren-9-yldimethyl-, dibromide
  • Hexafluronium bromide

Registry Numbers

CAS Registry Number

  • 317-52-2

FDA UNII

  • B64NJG83K2

Related Registry Number

  • 4844-10-4 (Parent)

System Generated Number

  • 0000317522

Molecular Formulas

Molecular Formula

  • C36-H42-N2.2Br

Molecular Formula Fragments

  • Br
  • C36-H42-N2
  • COMPONENT

Structure Descriptors

InChI

1S/C36H42N2.2BrH/c1-37(2,35-31-21-11-7-17-27(31)28-18-8-12-22-32(28)35)25-15-5-6-16-26-38(3,4)36-33-23-13-9-19-29(33)30-20-10-14-24-34(30)36;;/h7-14,17-24,35-36H,5-6,15-16,25-26H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

WDEFPRUEZRUYNW-UHFFFAOYSA-L

Smiles

c12C(c3ccccc3c1cccc2)[N+](CCCCCC[N+](C1c2c(cccc2)c2c1cccc2)(C)C)(C)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo intravenous 400ug/kg (0.4mg/kg) GASTROINTESTINAL: NAUSEA OR VOMITING "Possible Long-Term Health Effects of Short-Term Exposure to Chemical Agents," National Research Council, 3 vols., Washington, DC, National Academy Press, 1982-85Vol. 1, Pg. E1, 1982.
mouse LD50 intravenous 1760ug/kg (1.76mg/kg)   Biochemical Pharmacology. Vol. 2, Pg. 233, 1959.
mouse LD50 oral 280mg/kg (280mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 85, Pg. 603, 1954.
mouse LD50 subcutaneous 240mg/kg (240mg/kg)   Proceedings of the Society for Experimental Biology and Medicine. Vol. 85, Pg. 603, 1954.
rabbit LD50 intravenous 80ug/kg (0.08mg/kg)   Pharmacology and Toxicology. English translation of FATOAO. Vol. 22, Pg. 200, 1959.
rat LD50 intraperitoneal 20mg/kg (20mg/kg)   Compilation of LD50 Values of New Drugs.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 153.5 deg C   EXP
log P (octanol-water) -0.060 (none)   EST
Atmospheric OH Rate Constant 7.15E-11 cm3/molecule-sec 25 EST

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