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Substance Name: 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-(4-(diethylmethylammonio)butyl)-2-methyl-, diiodide
RN: 13757-49-8
InChIKey: UVKIGJLWYJYWDF-UHFFFAOYSA-L

Molecular Formula

  • C22-H42-N2.2I

Molecular Weight

  • 560.334
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 13757-49-8

System Generated Number

  • 0013757498

Molecular Formulas

Molecular Formula

  • C22-H42-N2.2I

Molecular Formula Fragments

  • C22-H42-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C20H38N2.2HI/c1-5-21(3,6-2)13-7-8-14-22(4)15-19-17-9-10-18(12-11-17)20(19)16-22;;/h9-10,17-20H,5-8,11-16H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

UVKIGJLWYJYWDF-UHFFFAOYSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50500ug/kg (50.5mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.