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Substance Name: 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-(m-phenylenebis(oxyethylene))bis(3,9-dimethyl-, dibromide
RN: 16405-22-4
InChIKey: SHPYEHSBMBEIEK-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H30-N2-O2.2Br

Molecular Weight

  • 632.521
 
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Names and Synonyms

  • 3-Aza-9-azoniabicyclo(3.3.1)nonane, 9,9'-(m-phenylenebis(oxyethylene))bis(3,9-dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 16405-22-4

System Generated Number

  • 0016405224

Molecular Formulas

Molecular Formula

  • C20-H30-N2-O2.2Br

Molecular Formula Fragments

  • Br
  • C20-H30-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C28H48N4O2.2BrH/c1-29-19-23-8-5-9-24(20-29)31(23,3)14-16-33-27-12-7-13-28(18-27)34-17-15-32(4)25-10-6-11-26(32)22-30(2)21-25;;/h7,12-13,18,23-26H,5-6,8-11,14-17,19-22H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

SHPYEHSBMBEIEK-UHFFFAOYSA-L

Smiles

[N+]1([C@@H]2CN(C)C[C@@H]1CCC2)(CCOc1cc(OCC[N+]2([C@@H]3CN(C)C[C@@H]2CCC3)C)ccc1)C.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1400ug/kg (1.4mg/kg)   Russian Pharmacology and Toxicology Vol. 31, Pg. 18, 1968.