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Substance Name: Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester
RN: 101710-81-0
InChIKey: LQUMWUWRYAYFRB-UHFFFAOYSA-N

Molecular Formula

  • C22-H31-N-O3

Molecular Weight

  • 357.491
 
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Names and Synonyms

Synonym

  • 2-Ethyl-3-quinuclidyl alpha-cyclopentyl-alpha-phenylglycolate

Systematic Name

  • Mandelic acid, alpha-cyclopentyl-, 2-ethyl-3-quinuclidinyl ester

Registry Numbers

CAS Registry Number

  • 101710-81-0

System Generated Number

  • 0101710810

Structure Descriptors

InChI

1S/C22H31NO3/c1-2-19-20(16-12-14-23(19)15-13-16)26-21(24)22(25,18-10-6-7-11-18)17-8-4-3-5-9-17/h3-5,8-9,16,18-20,25H,2,6-7,10-15H2,1H3

InChIKey

LQUMWUWRYAYFRB-UHFFFAOYSA-N

Smiles

C1([C@@](c2ccccc2)(C(O[C@@H]2[C@@H](N3CCC2CC3)CC)=O)O)CCCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11652,