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Substance Name: Mandelic acid, alpha-isopropyl-, 2-methyl-3-quinuclidinyl ester
RN: 101711-00-6
InChIKey: MLORIUYYKBHBAX-UHFFFAOYSA-N

Molecular Formula

  • C19-H27-N-O3

Molecular Weight

  • 317.426
 
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Names and Synonyms

Synonyms

  • 2-Methyl-3-quinuclidyl isopropyl(phenyl)glycolate A
  • 2-Methyl-3-quinuclidyl phenyl(isopropyl)glycolate B
  • 2-Methyl-3-quinuclidyl phenyl(isopropyl)glycolate-M (mixed isomers)

Systematic Name

  • Mandelic acid, alpha-isopropyl-, 2-methyl-3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101711-00-6

System Generated Number

  • 0101711006

Structure Descriptors

InChI

1S/C19H27NO3/c1-13(2)19(22,16-7-5-4-6-8-16)18(21)23-17-14(3)20-11-9-15(17)10-12-20/h4-8,13-15,17,22H,9-12H2,1-3H3

InChIKey

MLORIUYYKBHBAX-UHFFFAOYSA-N

Smiles

C12[C@@H]([C@@H](N(CC1)CC2)C)OC([C@@](c1ccccc1)(C(C)C)O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11902,