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Substance Name: 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-methyl-2-(2-(1-methylpyrrolidinio)ethyl)-, diiodide
RN: 13758-99-1
InChIKey: TYAGQDWJROZSSQ-UHFFFAOYSA-L

Molecular Formula

  • C20-H32-N2.2I

Molecular Weight

  • 530.265
 
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Names and Synonyms

Synonym

  • 2-(2-Pyrrolidinoethyl)-3a,4,7,7a-tetrahydro-4,7-ethaneisoindoline dimethiodide

Systematic Name

  • 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-methyl-2-(2-(1-methylpyrrolidinio)ethyl)-, diiodide

Registry Numbers

CAS Registry Number

  • 13758-99-1

System Generated Number

  • 0013758991

Molecular Formulas

Molecular Formula

  • C20-H32-N2.2I

Molecular Formula Fragments

  • C20-H32-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H32N2.2HI/c1-19(9-3-4-10-19)11-12-20(2)13-17-15-5-6-16(8-7-15)18(17)14-20;;/h5-6,15-18H,3-4,7-14H2,1-2H3;2*1H/q+2;;/p-2

InChIKey

TYAGQDWJROZSSQ-UHFFFAOYSA-L

Smiles

[IH-].[N+]1(CC[N+]2(C)C[C@@H]3[C@@H]4C=C[C@@H]([C@@H]3C2)CC4)(CCCC1)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 155mg/kg (155mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.
mouse LD50 oral 1664mg/kg (1664mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.
rat LD50 intravenous 176mg/kg (176mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.
rat LD50 oral 1806mg/kg (1806mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.