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Substance Name: Ammonium, (1-(3,4-dimethyl-alpha-hydroxybenzyl)ethyl)trimethyl-, iodide
RN: 97197-13-2
InChIKey: BNZSOGLVUXQPPX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-N-O.I

Molecular Weight

  • 349.25
 
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Names and Synonyms

Synonyms

  • (1-(3,4-Dimethyl-alpha-hydroxybenzyl)ethyl)trimethylammonium iodide
  • (2-(3,4-Dimethylphenyl)-2-hydroxyisopropyl)trimethylammonium iodide

Systematic Name

  • Ammonium, (1-(3,4-dimethyl-alpha-hydroxybenzyl)ethyl)trimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 97197-13-2

System Generated Number

  • 0097197132

Molecular Formulas

Molecular Formula

  • C14-H24-N-O.I

Molecular Formula Fragments

  • C14-H24-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C14H24NO.HI/c1-11-7-8-14(9-12(11)2)10-16-13(3)15(4,5)6;/h7-9,13H,10H2,1-6H3;1H/q+1;/p-1

InChIKey

BNZSOGLVUXQPPX-UHFFFAOYSA-M

Smiles

[N+]([C@@H](OCc1cc(c(C)cc1)C)C)(C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 81mg/kg (81mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 11, Pg. 518, 1963.