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Substance Name: Ammonium, nonamethylenebis(dimethyl(p-nitrobenzyl)-, dibromide, dihydrate
ID: BR93800000
InChIKey: LEBFCKFEANEMDN-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H42-N4-O4.2Br.2H2-O

Molecular Weight

  • 682.4904
 
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Names and Synonyms

Synonyms

  • N,N'-Nonamethylenebis(dimethyl(p-nitrobenzyl)ammonium bromide) dihydrate
  • Ro 2-4501

Systematic Name

  • Ammonium, nonamethylenebis(dimethyl(p-nitrobenzyl)-, dibromide, dihydrate

Registry Numbers

ID Number

  • NIOSH/BR9380000

System Generated Number

  • BR93800000

Molecular Formulas

Molecular Formula

  • C27-H42-N4-O4.2Br.2H2-O

Molecular Formula Fragments

  • Br
  • C27-H42-N4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H42N4O4.2BrH.2H2O/c1-30(2,22-24-12-16-26(17-13-24)28(32)33)20-10-8-6-5-7-9-11-21-31(3,4)23-25-14-18-27(19-15-25)29(34)35;;;;/h12-19H,5-11,20-23H2,1-4H3;2*1H;2*1H2/q+2;;;;/p-2

InChIKey

LEBFCKFEANEMDN-UHFFFAOYSA-L

Smiles

O.O.[Br-].[Br-].C[N+](C)(CCCCCCCCC[N+](C)(C)Cc1ccc(cc1)[N+](=O)[O-])Cc2ccc(cc2)[N+](=O)[O-]