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Substance Name: 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-methyl-2-(3-(trimethylammonio)propyl)-, diodide
RN: 13713-13-8
InChIKey: OIJRTZNXCMPJOO-UHFFFAOYSA-L

Molecular Formula

  • C19-H36-N2.2I

Molecular Weight

  • 518.254
 
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Names and Synonyms

Synonyms

  • 2-(3-Dimethylaminopropyl)-3a,4,7,7a-tetrahydro-4,7-ethanoisoindoline dimethiodide
  • KK-25-S

Systematic Name

  • 4,7-Ethanoisoindolinium, 3a,4,7,7a-tetrahydro-2-methyl-2-(3-(trimethylammonio)propyl)-, diodide

Registry Numbers

CAS Registry Number

  • 13713-13-8

System Generated Number

  • 0013713138

Molecular Formulas

Molecular Formula

  • C19-H36-N2.2I

Molecular Formula Fragments

  • C19-H36-N2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H32N2.2HI/c1-18(2,3)10-5-11-19(4)12-16-14-6-7-15(9-8-14)17(16)13-19;;/h6-7,14-17H,5,8-13H2,1-4H3;2*1H/q+2;;/p-2

InChIKey

OIJRTZNXCMPJOO-UHFFFAOYSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 156mg/kg (156mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.
mouse LD50 oral 2334mg/kg (2334mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.
rabbit LD50 intravenous 82200ug/kg (82.2mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.
rat LD50 intravenous 137mg/kg (137mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.
rat LD50 oral 1730mg/kg (1730mg/kg)   Shionogi Kenkyusho Nenpo. Annual Report of Shionogi Research Laboratory. Vol. 10, Pg. 15, 1960.