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Substance Name: Ammonium, hexamethylenebis(diethyl-(9-fluorenyl)-, dibromide, hemihydrate
RN: 63982-09-2
InChIKey: IHXOCADAVBSZJN-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H50-N2.2Br.1/2H2-O

Molecular Weight

  • 718.657
 
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Names and Synonyms

Synonym

  • Hexamethylenebis(diethyl-(9-fluorenyl)ammonium bromide) hemihydrate

Systematic Name

  • Ammonium, hexamethylenebis(diethyl-(9-fluorenyl)-, dibromide, hemihydrate

Registry Numbers

CAS Registry Number

  • 63982-09-2

System Generated Number

  • 0063982092

Molecular Formulas

Molecular Formula

  • C40-H50-N2.2Br.1/2H2-O

Molecular Formula Fragments

  • Br
  • C40-H50-N2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C40H50N2.2BrH/c1-5-41(6-2,39-35-25-15-11-21-31(35)32-22-12-16-26-36(32)39)29-19-9-10-20-30-42(7-3,8-4)40-37-27-17-13-23-33(37)34-24-14-18-28-38(34)40;;/h11-18,21-28,39-40H,5-10,19-20,29-30H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

IHXOCADAVBSZJN-UHFFFAOYSA-L

Smiles

[N+](C1c2c(cccc2)c2c1cccc2)(CCCCCC[N+](C1c2c(cccc2)c2c1cccc2)(CC)CC)(CC)CC.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1160ug/kg (1.16mg/kg)   Journal of the American Chemical Society. Vol. 76, Pg. 1862, 1954.