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Substance Name: 3-Nonynoic acid, 2-hydroxy-2-phenyl-, 3-quinuclidinyl ester
RN: 92956-66-6
InChIKey: KTIZDUCGIMKBDX-UHFFFAOYSA-N

Molecular Formula

  • C22-H29-N-O3

Molecular Weight

  • 355.475
 
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Names and Synonyms

Synonyms

  • 2-Hydroxy-2-phenyl-3-nonynoic acid 3-quinuclidinyl ester
  • 3-Quinuclidyl phenyl(1-heptynyl)glycolate B

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 92956-66-6

System Generated Number

  • 0092956666

Structure Descriptors

InChI

1S/C22H29NO3/c1-2-3-4-5-9-14-22(25,19-10-7-6-8-11-19)21(24)26-20-17-23-15-12-18(20)13-16-23/h6-8,10-11,18,20,25H,2-5,12-13,15-17H2,1H3

InChIKey

KTIZDUCGIMKBDX-UHFFFAOYSA-N

Smiles

c1([C@@](C(O[C@@H]2C3CCN(C2)CC3)=O)(C#CCCCCC)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 16mg/kg (16mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11398,