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Substance Name: Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)
RN: 80381-22-2
InChIKey: XMRJVBJUGDLPIJ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H26-N-O2.I

Molecular Weight

  • 415.3084
 
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Names and Synonyms

Synonym

  • 3-Hydroxy-1-methyl-quinuclidinium iodide 2-phenylbutyrate (ester)

Systematic Name

  • Quinuclidinium, 3-hydroxy-1-methyl-, iodide, 2-phenylbutyrate (ester)

Registry Numbers

CAS Registry Number

  • 80381-22-2

System Generated Number

  • 0080381222

Molecular Formulas

Molecular Formula

  • C18-H26-N-O2.I

Molecular Formula Fragments

  • C18-H26-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C18H26NO2.HI/c1-3-16(14-7-5-4-6-8-14)18(20)21-17-13-19(2)11-9-15(17)10-12-19;/h4-8,15-17H,3,9-13H2,1-2H3;1H/q+1;/p-1

InChIKey

XMRJVBJUGDLPIJ-UHFFFAOYSA-M

Smiles

CCC(c1ccccc1)C(=O)OC2C[N+]3(CCC2CC3)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 57mg/kg (57mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Pharmaceutical Chemistry Journal Vol. 15, Pg. 569, 1981.
mouse LD50 intravenous 11800ug/kg (11.8mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Pharmaceutical Chemistry Journal Vol. 15, Pg. 569, 1981.