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Substance Name: 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-(4-(dibutylmethylammonio)butyl)-2-methyl-, diiodide
RN: 13757-50-1
InChIKey: YDQCWPZEGMANBS-UHFFFAOYSA-L

Molecular Formula

  • C26-H50-N2.2I

Molecular Weight

  • 616.441
 
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Names and Synonyms

  • 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-(4-(dibutylmethylammonio)butyl)-2-methyl-, diiodide

Registry Numbers

CAS Registry Number

  • 13757-50-1

System Generated Number

  • 0013757501

Molecular Formulas

Molecular Formula

  • C26-H50-N2.2I

Molecular Formula Fragments

  • C26-H50-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C24H46N2.2HI/c1-5-7-15-25(3,16-8-6-2)17-9-10-18-26(4)19-23-21-11-12-22(14-13-21)24(23)20-26;;/h11-12,21-24H,5-10,13-20H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

YDQCWPZEGMANBS-UHFFFAOYSA-L

Smiles

C1[N+](C[C@@H]2[C@@H]3C=C[C@@H]([C@@H]12)CC3)(C)CCCC[N+](C)(CCCC)CCCC.[IH-].[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 17mg/kg (17mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.