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Substance Name: Benzeneacetic acid, alpha-(1-hydroxycyclopentyl)-, 1-azabicyclo(2.2.2)oct-3-yl ester
RN: 101931-96-8
InChIKey: ZMPSKFMPHXKCJA-UHFFFAOYSA-N

Classification Code

  • Human Data

Molecular Formula

  • C20-H27-N-O3

Molecular Weight

  • 329.4373
 
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Names and Synonyms

Synonyms

  • 1-Hydroxy-alpha-phenylcyclopentaneacetic acid 3-quinuclidinyl ester
  • 3-Quinuclidinyl (1-hydroxycyclopentyl) phenylacetate
  • Cyclopentaneacetic acid, 1-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester

Systematic Name

  • Benzeneacetic acid, alpha-(1-hydroxycyclopentyl)-, 1-azabicyclo(2.2.2)oct-3-yl ester

Registry Numbers

CAS Registry Number

  • 101931-96-8

System Generated Number

  • 0101931968

Structure Descriptors

InChI

1S/C20H27NO3/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

InChIKey

ZMPSKFMPHXKCJA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TDLo intramuscular 3ug/kg (0.003mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE "Possible Long-Term Health Effects of Short-Term Exposure to Chemical Agents," National Research Council, 3 vols., Washington, DC, National Academy Press, 1982-85Vol. 1, Pg. L1, 1982.
mouse LD50 intravenous 25mg/kg (25mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11439,