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Substance Name: Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((1-pentyl)dimethyl-, dibromide
RN: 66855-79-6
InChIKey: KJSCFPLSNZYFRI-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H46-N2-O2.2Br

Molecular Weight

  • 626.513
 
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Names and Synonyms

Synonym

  • (4,4'-Biphenylylenebis(2-oxoethylene))bis((1-pentyl)dimethylammonium) dibromide

Systematic Name

  • Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((1-pentyl)dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 66855-79-6

System Generated Number

  • 0066855796

Molecular Formulas

Molecular Formula

  • C30-H46-N2-O2.2Br

Molecular Formula Fragments

  • Br
  • C30-H46-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C30H46N2O2.2BrH/c1-7-9-11-21-31(3,4)29(33)23-25-13-17-27(18-14-25)28-19-15-26(16-20-28)24-30(34)32(5,6)22-12-10-8-2;;/h13-20H,7-12,21-24H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

KJSCFPLSNZYFRI-UHFFFAOYSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 5600ug/kg (5.6mg/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.