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Substance Name: Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin-2,14-diaminium, 6,7,9,10,17,18,20,21-octahydro-N,N'-bis(phenylmethyl)-N,N,N',N'-tetramethyl-, dibromide
RN: 125272-62-0
InChIKey: BUUIHXGPUZDZMQ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H48-N2-O6.2Br

Molecular Weight

  • 788.6132
 
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Names and Synonyms

Synonyms

  • 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide
  • 6,7,9,10,17,18,20,21-Octahydro-N,N,N',N'-tetramethyl-N,N'-bis(phenylmethyl)dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin-2,14-diaminium dibromide

Systematic Names

  • Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin-2,14-diaminium, 6,7,9,10,17,18,20,21-octahydro-N,N'-bis(phenylmethyl)-N,N,N',N'-tetramethyl-, dibromide
  • Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin-2,14-diaminium, 6,7,9,10,17,18,20,21-octahydro-N,N,N',N'-tetramethyl-N,N'-bis(phenylmethyl)-, dibromide

Registry Numbers

CAS Registry Number

  • 125272-62-0

System Generated Number

  • 0125272620

Molecular Formulas

Molecular Formula

  • C38-H48-N2-O6.2Br

Molecular Formula Fragments

  • Br
  • C38-H48-N2-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C38H48N2O6.2BrH/c1-39(2,29-31-11-7-5-8-12-31)33-15-17-35-37(27-33)45-25-21-42-22-26-46-38-28-34(40(3,4)30-32-13-9-6-10-14-32)16-18-36(38)44-24-20-41-19-23-43-35;;/h5-18,27-28H,19-26,29-30H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

BUUIHXGPUZDZMQ-UHFFFAOYSA-L

Smiles

C[N+](C)(Cc1ccccc1)c2ccc3c(c2)OCCOCCOc4cc(ccc4OCCOCCO3)[N+](C)(C)Cc5ccccc5.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 10400ug/kg (10.4mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 27, 1991.
mouse LD50 intravenous 4200ug/kg (4.2mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 27, 1991.