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Substance Name: 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester
RN: 92956-21-3
InChIKey: JKPUZMZDECKYBD-MDWZMJQESA-N

Molecular Formula

  • C21-H29-N-O3

Molecular Weight

  • 343.4641
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-2-phenyl-3-octenoic acid 3-quinuclidinyl ester
  • 3-Quinuclidyl phenyl(cis-1-hexenyl)glycolate

Systematic Name

  • 3-Octenoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 92956-21-3

System Generated Number

  • 0092956213

Structure Descriptors

InChI

1S/C21H29NO3/c1-2-3-4-8-13-21(24,18-9-6-5-7-10-18)20(23)25-19-16-22-14-11-17(19)12-15-22/h5-10,13,17,19,24H,2-4,11-12,14-16H2,1H3/b13-8+

InChIKey

JKPUZMZDECKYBD-MDWZMJQESA-N

Smiles

CCCC/C=C/C(c1ccccc1)(C(=O)OC2CN3CCC2CC3)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 13mg/kg (13mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11578,