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Substance Name: Cyclopentaneacetic acid, 1-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester, hydrochloride
RN: 101931-97-9
InChIKey: MLNHNOUEAOVRLO-UHFFFAOYSA-N

Molecular Formula

  • C20-H27-N-O3.Cl-H

Molecular Weight

  • 365.8982
 
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Names and Synonyms

Synonym

  • 3-Quinuclidyl (1-hydroxycyclopentyl)phenylacetate hydrochloride isomer A

Systematic Name

  • Cyclopentaneacetic acid, 1-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 101931-97-9

System Generated Number

  • 0101931979

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

InChIKey

MLNHNOUEAOVRLO-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(C(=O)OC2CN3CCC2CC3)C4(CCCC4)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11400,