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Substance Name: Ammonium, (p-terphenyl-4,4''-ylene)bis(2-oxoethylene)bis((3-acetylpropyl)dimethyl-, dibromide
RN: 101710-68-3
InChIKey: BYIXXDHBVCBZEY-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H46-N2-O4.2Br

Molecular Weight

  • 730.5774
 
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Names and Synonyms

Synonyms

  • (4,4''-(1,1':4',1''-Terphenylylene))bis(2-oxoethylene)bis(4-oxopentyldimethylammoniumbromide)
  • (p-Terphenyl-4,4''-ylene)bis(2-oxoethylene)bis((3-acetylpropyl)dimethylammoniumbromide)

Systematic Name

  • Ammonium, (p-terphenyl-4,4''-ylene)bis(2-oxoethylene)bis((3-acetylpropyl)dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 101710-68-3

System Generated Number

  • 0101710683

Molecular Formulas

Molecular Formula

  • C36-H46-N2-O4.2Br

Molecular Formula Fragments

  • Br
  • C36-H46-N2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C36H46N2O4.2BrH/c1-27(39)9-7-23-37(3,4)25-35(41)33-19-15-31(16-20-33)29-11-13-30(14-12-29)32-17-21-34(22-18-32)36(42)26-38(5,6)24-8-10-28(2)40;;/h11-22H,7-10,23-26H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

BYIXXDHBVCBZEY-UHFFFAOYSA-L

Smiles

CC(=O)CCC[N+](C)(C)CC(=O)c1ccc(cc1)c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CCCC(=O)C.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 4270ug/kg (4.27mg/kg)   Journal of Medicinal Chemistry. Vol. 23, Pg. 541, 1980.