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Substance Name: 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2,4,7-trimethyl-2-(3-(trimethylammonio)propyl)-, diiodide
RN: 14043-81-3
InChIKey: VLVDKQGRGPMHBO-UHFFFAOYSA-L

Molecular Formulas

  • C19-H36-N2.2I
  • C21-H40-N2.2I

Molecular Weight

  • 546.307
 
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Names and Synonyms

  • 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2,4,7-trimethyl-2-(3-(trimethylammonio)propyl)-, diiodide

Registry Numbers

CAS Registry Number

  • 14043-81-3

System Generated Number

  • 0014043813

Molecular Formulas

Molecular Formulas

  • C19-H36-N2.2I
  • C21-H40-N2.2I

Molecular Formula Fragments

  • C19-H36-N2
  • C21-H40-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C19H36N2.2HI/c1-18-8-10-19(2,11-9-18)17-15-21(6,14-16(17)18)13-7-12-20(3,4)5;;/h8,10,16-17H,7,9,11-15H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

VLVDKQGRGPMHBO-UHFFFAOYSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 52200ug/kg (52.2mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.