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Substance Name: Pyrrolidinium, 1-(beta-hydroxyphenethyl)-1-methyl-, iodide, p-methoxybenzoate (ester)
RN: 102584-71-4
InChIKey: IYBIEWILULKOFI-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N-O3.I

Molecular Weight

  • 467.3404
 
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Names and Synonyms

Synonym

  • 1-(beta-Hydroxyphenethyl)-1-methylpyrrolidinium iodide p-methoxybenzoate (ester)

Systematic Name

  • Pyrrolidinium, 1-(beta-hydroxyphenethyl)-1-methyl-, iodide, p-methoxybenzoate (ester)

Registry Numbers

CAS Registry Number

  • 102584-71-4

System Generated Number

  • 0102584714

Molecular Formulas

Molecular Formula

  • C21-H26-N-O3.I

Molecular Formula Fragments

  • C21-H26-N-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C21H26NO3.HI/c1-22(14-6-7-15-22)20(17-8-4-3-5-9-17)16-25-21(23)18-10-12-19(24-2)13-11-18;/h3-5,8-13,20H,6-7,14-16H2,1-2H3;1H/q+1;/p-1

InChIKey

IYBIEWILULKOFI-UHFFFAOYSA-M

Smiles

C[N+]1(CCCC1)C(COC(=O)c2ccc(cc2)OC)c3ccccc3.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 200mg/kg (200mg/kg)   Journal of the American Chemical Society. Vol. 81, Pg. 203, 1959.