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Substance Name: Pyrrolidinium, 3-hydroxy-3-phenyl-1,2,5-trimethyl-, iodide, propionate (ester)
RN: 102584-74-7
InChIKey: KOUZOJWAHJURBL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N-O2.I

Molecular Weight

  • 389.2706
 
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Names and Synonyms

Synonym

  • 3-Hydroxy-3-phenyl-1,2,5-trimethylpyrrolidinium iodide propionate

Systematic Name

  • Pyrrolidinium, 3-hydroxy-3-phenyl-1,2,5-trimethyl-, iodide, propionate (ester)

Registry Numbers

CAS Registry Number

  • 102584-74-7

System Generated Number

  • 0102584747

Molecular Formulas

Molecular Formula

  • C16-H24-N-O2.I

Molecular Formula Fragments

  • C16-H24-N-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C16H23NO2.HI/c1-5-15(18)19-16(14-9-7-6-8-10-14)11-12(2)17(4)13(16)3;/h6-10,12-13H,5,11H2,1-4H3;1H

InChIKey

KOUZOJWAHJURBL-UHFFFAOYSA-N

Smiles

C1[C@@](c2ccccc2)(OC(=O)CC)[C@@H](C)[N@@]([C@@H]1C)C.I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 127mg/kg (127mg/kg)   Journal of Medicinal and Pharmaceutical Chemistry. Vol. 4, Pg. 1, 1961.