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Substance Name: Quinuclidinium, 3-hydroxy-1-methyl-2-methylene-3-(o-tolyl)-, iodide
RN: 82380-40-3
InChIKey: QIQSKHJSAVKJEW-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H22-N-O.I

Molecular Weight

  • 371.2558
 
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Names and Synonyms

Synonyms

  • 1-Azoniabicyclo(2.2.2)octane, 3-hydroxy-1-methyl-2-methylene-3-(2-methylphenyl)-, iodide
  • 2-Methylene-3-(2'-tolyl)-3-hydroxyquinuclidine methiodide
  • 3-Hydroxy-1-methyl-2-methylene-3-(o-tolyl)quinuclidinium iodide

Systematic Name

  • Quinuclidinium, 3-hydroxy-1-methyl-2-methylene-3-(o-tolyl)-, iodide

Registry Numbers

CAS Registry Number

  • 82380-40-3

System Generated Number

  • 0082380403

Molecular Formulas

Molecular Formula

  • C16-H22-N-O.I

Molecular Formula Fragments

  • C16-H22-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H22NO.HI/c1-12-6-4-5-7-15(12)16(18)13(2)17(3)10-8-14(16)9-11-17;/h4-7,14,18H,2,8-11H2,1,3H3;1H/q+1;/p-1

InChIKey

QIQSKHJSAVKJEW-UHFFFAOYSA-M

Smiles

Cc1ccccc1C2(C3CC[N+](C2=C)(CC3)C)O.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 92500ug/kg (92.5mg/kg) AUTONOMIC NERVOUS SYSTEM: SYMPATHOMIMETIC

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Pharmaceutical Chemistry Journal Vol. 16, Pg. 207, 1982.