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Substance Name: Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneglycolate, (+)-
RN: 3486-38-2
InChIKey: QJOWGAHHRDLCBC-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H34-N-O3.I

Molecular Weight

  • 459.405
 
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Names and Synonyms

Synonym

  • (+)-Diethyl(2-hydroxyethyl)methylammonium iodide alpha-phenylcyclohexaneglycolate

Systematic Name

  • Ammonium, diethyl(2-hydroxyethyl)methyl-, iodide, alpha-phenylcyclohexaneglycolate, (+)-

Registry Numbers

CAS Registry Number

  • 3486-38-2

System Generated Number

  • 0003486382

Molecular Formulas

Molecular Formula

  • C21-H34-N-O3.I

Molecular Formula Fragments

  • C21-H34-N-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H34NO2.HI/c1-4-22(3,5-2)16-17-24-21(23)20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6,8-9,12-13,19-20H,4-5,7,10-11,14-17H2,1-3H3;1H/q+1;/p-1

InChIKey

QJOWGAHHRDLCBC-UHFFFAOYSA-M

Smiles

c1([C@@H](C2CCCCC2)C(OCC[N+](CC)(CC)C)=O)ccccc1.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 500mg/kg (500mg/kg)   Farmakologiya i Toksikologiya Vol. 28, Pg. 37, 1965.