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Substance Name: Ammonium, (2-((1-benzyl-4-carboxy-3-methylpyrazol-5-yl)oxy)ethyl)trimethyl-, iodide, ethyl ester
RN: 19477-45-3
InChIKey: PAKVLLSBOBUJQO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-N3-O3.I

Molecular Weight

  • 473.348
 
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Names and Synonyms

Synonym

  • (2-((1-Benzyl-4-carboxy-3-methylpyrazol-5-yl)oxy)ethyl)trimethylammonium iodide ethyl ester

Systematic Name

  • Ammonium, (2-((1-benzyl-4-carboxy-3-methylpyrazol-5-yl)oxy)ethyl)trimethyl-, iodide, ethyl ester

Registry Numbers

CAS Registry Number

  • 19477-45-3

System Generated Number

  • 0019477453

Molecular Formulas

Molecular Formula

  • C19-H28-N3-O3.I

Molecular Formula Fragments

  • C19-H28-N3-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C19H28N3O3.HI/c1-6-24-19(23)17-15(2)20-21(14-16-10-8-7-9-11-16)18(17)25-13-12-22(3,4)5;/h7-11H,6,12-14H2,1-5H3;1H/q+1;/p-1

InChIKey

PAKVLLSBOBUJQO-UHFFFAOYSA-M

Smiles

c1(n(nc(c1C(OCC)=O)C)Cc1ccccc1)OCC[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2088mg/kg (2088mg/kg)   Pharmaceutica Acta Helvetiae. Vol. 43, Pg. 704, 1968.
mouse LD50 subcutaneous 360mg/kg (360mg/kg)   Pharmaceutica Acta Helvetiae. Vol. 43, Pg. 704, 1968.