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Substance Name: Ro 2-4161
ID: BP59210000
InChIKey: QXOHOOFPAAULRP-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H44-N4-O4.2Br

Molecular Weight

  • 660.4876
 
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Names and Synonyms

Results Name

  • Ro 2-4161

Synonyms

  • Decamethylenebis(dimethyl(p-nitrobenzyl)ammonium bromide)
  • Ro 2-4161

Systematic Name

  • Ammonium, decamethylenebis(dimethyl(p-nitrobenzyl)-, dibromide

Registry Numbers

ID Number

  • NIOSH/BP5921000

System Generated Number

  • BP59210000

Molecular Formulas

Molecular Formula

  • C28-H44-N4-O4.2Br

Molecular Formula Fragments

  • Br
  • C28-H44-N4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C28H44N4O4.2BrH/c1-31(2,23-25-13-17-27(18-14-25)29(33)34)21-11-9-7-5-6-8-10-12-22-32(3,4)24-26-15-19-28(20-16-26)30(35)36;;/h13-20H,5-12,21-24H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

QXOHOOFPAAULRP-UHFFFAOYSA-L

Smiles

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