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Substance Name: 1-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester
RN: 101564-45-8
InChIKey: FWJIGQBPCPODPX-UHFFFAOYSA-N

Molecular Formula

  • C21-H27-N-O3

Molecular Weight

  • 341.4483
 
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Names and Synonyms

Synonyms

  • 3-Quinuclidyl phenyl(1-cyclohexenyl)glycycolate
  • alpha-Phenyl-1-cyclohexeneglycolic acid 3-quinuclidinyl ester

Systematic Name

  • 1-Cyclohexeneglycolic acid, alpha-phenyl-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101564-45-8

System Generated Number

  • 0101564458

Structure Descriptors

InChI

1S/C21H27NO3/c23-20(25-19-15-22-13-11-16(19)12-14-22)21(24,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7-9,16,19,24H,2,5-6,10-15H2

InChIKey

FWJIGQBPCPODPX-UHFFFAOYSA-N

Smiles

OC(C(=O)OC1CN2CCC1CC2)(C3=CCCCC3)c4ccccc4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11855,