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Substance Name: Piperazinium, 1-(3-(2-ethyl-2-methylhexanoyloxy)propyl)-1,4,4-trimethyl-, diiodide
RN: 33537-39-2
InChIKey: KWBBMJIZZYJJMD-UHFFFAOYSA-L

Molecular Formula

  • C19-H40-N2-O2.2I

Molecular Weight

  • 582.337
 
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Names and Synonyms

Synonym

  • 1-(2-Ethyl-2-methylhexanoyloxypropyl)-1,4,4-trimethylpiperazium diiodide

Systematic Name

  • Piperazinium, 1-(3-(2-ethyl-2-methylhexanoyloxy)propyl)-1,4,4-trimethyl-, diiodide

Registry Numbers

CAS Registry Number

  • 33537-39-2

System Generated Number

  • 0033537392

Molecular Formulas

Molecular Formula

  • C19-H40-N2-O2.2I

Molecular Formula Fragments

  • C19-H40-N2-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C19H40N2O2.2HI/c1-7-9-11-19(3,8-2)18(22)23-17-10-12-21(6)15-13-20(4,5)14-16-21;;/h7-17H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

KWBBMJIZZYJJMD-UHFFFAOYSA-L

Smiles

[IH-].[N+]1(CC[N+](CC1)(C)CCCOC([C@@](CCCC)(C)CC)=O)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 20mg/kg (20mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 318, 1970.