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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,N,N',N',N'-hexamethyl-, diiodide
RN: 125239-74-9
InChIKey: HWYXFUUQPWZEDJ-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H40-N2-O6.2I

Molecular Weight

  • 730.41
 
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Names and Synonyms

Synonym

  • 4',4''-Bis(trimethylammonium)dibenzo-18-crown-6 diiodide

Systematic 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,N,N',N',N'-hexamethyl-, diiodide

Registry Numbers

CAS Registry Number

  • 125239-74-9

System Generated Number

  • 0125239749

Molecular Formulas

Molecular Formula

  • C26-H40-N2-O6.2I

Molecular Formula Fragments

  • C26-H40-N2-O6
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C26H40N2O6.2HI/c1-27(2,3)21-7-9-23-25(19-21)33-17-13-30-14-18-34-26-20-22(28(4,5)6)8-10-24(26)32-16-12-29-11-15-31-23;;/h7-10,19-20H,11-18H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

HWYXFUUQPWZEDJ-UHFFFAOYSA-L

Smiles

C[N+](C)(C)c1ccc2c(c1)OCCOCCOc3cc(ccc3OCCOCCO2)[N+](C)(C)C.[I-].[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 34mg/kg (34mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 27, 1991.
mouse LD50 intravenous 9500ug/kg (9.5mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 27, 1991.