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Substance Name: Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate
RN: 24589-41-1
InChIKey: MWVNGHBLTGJAMD-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H34-N-O2.I

Molecular Weight

  • 411.361
 
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Names and Synonyms

Synonym

  • 1-(2-Hydroxyethyl)-1-methylpiperidinium iodide 2-ethyl-2-methylhexanoate

Systematic Name

  • Piperidinium, 1-(2-hydroxyethyl)-1-methyl-, iodide, 2-ethyl-2-methylhexanoate

Registry Numbers

CAS Registry Number

  • 24589-41-1

System Generated Number

  • 0024589411

Molecular Formulas

Molecular Formula

  • C17-H34-N-O2.I

Molecular Formula Fragments

  • C17-H34-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H34NO2.HI/c1-5-7-11-17(3,6-2)16(19)20-15-14-18(4)12-9-8-10-13-18;/h5-15H2,1-4H3;1H/q+1;/p-1

InChIKey

MWVNGHBLTGJAMD-UHFFFAOYSA-M

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 46mg/kg (46mg/kg)   Chimica Therapeutica. Vol. 4, Pg. 103, 1969.