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Substance Name: Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate
RN: 29125-57-3
InChIKey: QMPNXLUWXZWDRX-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H30-N-O3.Br

Molecular Weight

  • 424.376
 
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Names and Synonyms

Synonyms

  • 1-Methyl-3-(2-cyclopentyl-2-hydroxy-2-phenylethanoyloxy)quinuclidinium bromide
  • 3-Hydroxy-1-methylquinuclidinium bromide alpha-cyclopentylmandelate

Systematic Name

  • Quinuclidinium, 3-hydroxy-1-methyl-, bromide, alpha-cyclopentylmandelate

Registry Numbers

CAS Registry Number

  • 29125-57-3

System Generated Number

  • 0029125573

Molecular Formulas

Molecular Formula

  • C21-H30-N-O3.Br

Molecular Formula Fragments

  • Br
  • C21-H30-N-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C21H30NO3.BrH/c1-22-13-11-16(12-14-22)19(15-22)25-20(23)21(24,18-9-5-6-10-18)17-7-3-2-4-8-17;/h2-4,7-8,16,18-19,24H,5-6,9-15H2,1H3;1H/q+1;/p-1

InChIKey

QMPNXLUWXZWDRX-UHFFFAOYSA-M

Smiles

C1CC2CC[N+]1(C[C@@H]2OC([C@@](c1ccccc1)(C1CCCC1)O)=O)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 16mg/kg (16mg/kg)   United States Patent Document. Vol. #3714357,
mouse LDLo subcutaneous 420mg/kg (420mg/kg)   United States Patent Document. Vol. #3714357,
rat LDLo subcutaneous 620mg/kg (620mg/kg)   United States Patent Document. Vol. #3714357,