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Substance Name: Phosphonium, (6,7,9,10,17,18,20,21-octahydrodibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin-2,14-diyl)bis(diphenyl(phenylmethyl)-, dibromide
RN: 134403-77-3
InChIKey: BXGNZXHQEXBCNH-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C58-H56-O6-P2.2Br

Molecular Weight

  • 1070.8304
 
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Names and Synonyms

Synonym

  • 4',4''(5'')-Bis(diphenylbenzylphosphonium)dibenzo-18-crown-6 dibromide

Systematic Name

  • Phosphonium, (6,7,9,10,17,18,20,21-octahydrodibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin-2,14-diyl)bis(diphenyl(phenylmethyl)-, dibromide

Registry Numbers

CAS Registry Number

  • 134403-77-3

System Generated Number

  • 0134403773

Molecular Formulas

Molecular Formula

  • C58-H56-O6-P2.2Br

Molecular Formula Fragments

  • Br
  • C58-H56-O6-P2
  • COMPONENT

Structure Descriptors

InChI

1S/C58H56O6P2.2BrH/c1-7-19-47(20-8-1)45-65(49-23-11-3-12-24-49,50-25-13-4-14-26-50)53-31-33-55-57(43-53)63-41-37-59-36-40-62-56-34-32-54(44-58(56)64-42-38-60-35-39-61-55)66(51-27-15-5-16-28-51,52-29-17-6-18-30-52)46-48-21-9-2-10-22-48;;/h1-34,43-44H,35-42,45-46H2;2*1H/q+2;;/p-2

InChIKey

BXGNZXHQEXBCNH-UHFFFAOYSA-L

Smiles

c1ccc(cc1)C[P+](c2ccccc2)(c3ccccc3)c4ccc5c(c4)OCCOCCOc6ccc(cc6OCCOCCO5)[P+](Cc7ccccc7)(c8ccccc8)c9ccccc9.[Br-].[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 6400ug/kg (6.4mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 27, 1991.
mouse LD50 intravenous 640ug/kg (0.64mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 27, 1991.
mouse LD50 oral 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 25, Pg. 27, 1991.