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Substance Name: Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester
RN: 101564-15-2
InChIKey: PENRTVGKXJUUEK-UHFFFAOYSA-N

Molecular Formula

  • C21-H29-N-O3

Molecular Weight

  • 343.4641
 
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Names and Synonyms

Synonyms

  • 1-Hydroxy-alpha-phenylcyclohexaneacetic acid 3-quinuclidinyl ester
  • 3-Quinuclidyl (1-hydroxycyclohexyl)phenylacetate

Systematic Name

  • Cyclohexaneacetic acid, 1-hydroxy-alpha-phenyl-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101564-15-2

System Generated Number

  • 0101564152

Structure Descriptors

InChI

1S/C21H29NO3/c23-20(25-18-15-22-13-9-16(18)10-14-22)19(17-7-3-1-4-8-17)21(24)11-5-2-6-12-21/h1,3-4,7-8,16,18-19,24H,2,5-6,9-15H2

InChIKey

PENRTVGKXJUUEK-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(C(=O)OC2CN3CCC2CC3)C4(CCCCC4)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 20mg/kg (20mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11440,