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Substance Name: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((4-oxopentyl)dimethyl-, dibromide
RN: 58594-14-2
InChIKey: WQSWSJIXQGNBAB-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H42-N2-O4.2Br

Molecular Weight

  • 654.48
 
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Names and Synonyms

Synonym

  • (4,4'-Biphenylylenebis(2-oxoethylene))bis((4-oxopentyl)dimethylammonium) dibromide

Systematic Name

  • Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((4-oxopentyl)dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 58594-14-2

System Generated Number

  • 0058594142

Molecular Formulas

Molecular Formula

  • C30-H42-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C30-H42-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C30H42N2O4.2BrH/c1-23(33)9-7-19-31(3,4)29(35)21-25-11-15-27(16-12-25)28-17-13-26(14-18-28)22-30(36)32(5,6)20-8-10-24(2)34;;/h11-18H,7-10,19-22H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

WQSWSJIXQGNBAB-UHFFFAOYSA-L

Smiles

c1(c2ccc(CC([N+](CCCC(C)=O)(C)C)=O)cc2)ccc(CC([N+](CCCC(C)=O)(C)C)=O)cc1.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3100ug/kg (3.1mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA
Journal of Medicinal Chemistry. Vol. 19, Pg. 760, 1976.