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Substance Name: Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 1-azabicyclo(2.2.2)oct-3-yl ester, hydrochloride
RN: 29125-55-1
InChIKey: XAHHRQBPXCMBNT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H27-N-O3.Cl-H

Molecular Weight

  • 365.898
 
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Names and Synonyms

Synonyms

  • 3-(2-Cyclopentyl-2-hydroxy-2-phenylethanoyloxy)quinuclidine hydrochloride
  • Mandelic acid, alpha-cyclopentyl-, 3-quinuclidinyl ester, hydrochloride

Systematic Name

  • Benzeneacetic acid, alpha-cyclopentyl-alpha-hydroxy-, 1-azabicyclo(2.2.2)oct-3-yl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 29125-55-1

System Generated Number

  • 0029125551

Molecular Formulas

Molecular Formula

  • C20-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C20-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H27NO3.ClH/c22-19(24-18-14-21-12-10-15(18)11-13-21)20(23,17-8-4-5-9-17)16-6-2-1-3-7-16;/h1-3,6-7,15,17-18,23H,4-5,8-14H2;1H

InChIKey

XAHHRQBPXCMBNT-UHFFFAOYSA-N

Smiles

c1(ccccc1)[C@@](C(=O)O[C@@H]1CN2CCC1CC2)(O)C1CCCC1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intravenous 67mg/kg (67mg/kg)   United States Patent Document. Vol. #3714357,
mouse LDLo subcutaneous 230mg/kg (230mg/kg)   United States Patent Document. Vol. #3714357,
rat LDLo subcutaneous 520mg/kg (520mg/kg)   United States Patent Document. Vol. #3714357,