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Substance Name: Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide
RN: 32051-72-2
InChIKey: UEKIWXUMBRPSPJ-UHFFFAOYSA-M

Molecular Formula

  • C18-H36-N-O2.I

Molecular Weight

  • 425.387
 
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Names and Synonyms

Synonyms

  • 1-(2-Ethyl-2-methylhexanoyloxypropyl)-1-methylpiperidinium iodide
  • Hexanoic acid, 2-ethyl-2-methyl-, 3-piperidinopropyl ester, methiodide

Systematic Name

  • Piperidinium, 1-(2-ethyl-2-methylhexanoyloxypropyl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 32051-72-2

System Generated Number

  • 0032051722

Molecular Formulas

Molecular Formula

  • C18-H36-N-O2.I

Molecular Formula Fragments

  • C18-H36-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H36NO2.HI/c1-5-7-12-18(3,6-2)17(20)21-16-11-15-19(4)13-9-8-10-14-19;/h5-16H2,1-4H3;1H/q+1;/p-1

InChIKey

UEKIWXUMBRPSPJ-UHFFFAOYSA-M

Smiles

[N+]1(CCCCC1)(C)CCCOC([C@@](CCCC)(C)CC)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 77mg/kg (77mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 318, 1970.