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Substance Name: Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 1-phenylcyclohexanecarboxylate (ester)
RN: 66902-93-0
InChIKey: FHRDEGYTQANVGL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H32-N-O2.I

Molecular Weight

  • 445.378
 
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Names and Synonyms

Synonyms

  • 1-Phenylcyclohexanecarboxylic acid 2-(diethylamino)ethyl ester methiodide
  • Cyclohexanecarboxylic acid, 1-phenyl-, 2-(diethylamino)ethyl ester, methiodide
  • Diethyl(2-hydroxyethyl)methylammonium iodide 1-phenylcyclohexanecarboxylate (ester)

Systematic Name

  • Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, 1-phenylcyclohexanecarboxylate (ester)

Registry Numbers

CAS Registry Number

  • 66902-93-0

System Generated Number

  • 0066902930

Molecular Formulas

Molecular Formula

  • C20-H32-N-O2.I

Molecular Formula Fragments

  • C20-H32-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C20H32NO2.HI/c1-4-21(3,5-2)16-17-23-19(22)20(14-10-7-11-15-20)18-12-8-6-9-13-18;/h6,8-9,12-13H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1

InChIKey

FHRDEGYTQANVGL-UHFFFAOYSA-M

Smiles

C1(c2ccccc2)(C(OCC[N+](CC)(CC)C)=O)CCCCC1.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 100mg/kg (100mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2345, 1946.