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Substance Name: 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((4-methyl-1-phenyl-1-pentyn-3-yl)oxy)methyl)-, chloride
RN: 117983-41-2
InChIKey: MWYVRRQUYDURML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H22-N3-O2.Cl

Molecular Weight

  • 347.8438
 
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Names and Synonyms

  • 1H-Imidazolium, 2-((hydroxyimino)methyl)-3-methyl-1-(((4-methyl-1-phenyl-1-pentyn-3-yl)oxy)methyl)-, chloride

Registry Numbers

CAS Registry Number

  • 117983-41-2

System Generated Number

  • 0117983412

Molecular Formulas

Molecular Formula

  • C18-H22-N3-O2.Cl

Molecular Formula Fragments

  • C18-H22-N3-O2
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21N3O2.ClH/c1-15(2)17(10-9-16-7-5-4-6-8-16)23-14-21-12-11-20(3)18(21)13-19-22;/h4-8,11-13,15,17H,14H2,1-3H3;1H

InChIKey

MWYVRRQUYDURML-UHFFFAOYSA-N

Smiles

CC(C)C(C#Cc1ccccc1)OC[n+]2ccn(c2/C=N/O)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 94mg/kg (94mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 504, 1989.