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Substance Name: Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-piperidyl ester
RN: 92956-04-2
InChIKey: VJUIYPDYTKCPSJ-UHFFFAOYSA-N

Molecular Formula

  • C17-H21-N-O3

Molecular Weight

  • 287.357
 
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Names and Synonyms

Synonym

  • 1-Methyl-3-piperidyl phenyl(propynyl)glycolate

Systematic Name

  • Mandelic acid, alpha-(1-propynyl)-, 1-methyl-3-piperidyl ester

Registry Numbers

CAS Registry Number

  • 92956-04-2

System Generated Number

  • 0092956042

Structure Descriptors

InChI

1S/C17H21NO3/c1-3-11-17(20,14-8-5-4-6-9-14)16(19)21-15-10-7-12-18(2)13-15/h4-6,8-9,15,20H,7,10,12-13H2,1-2H3

InChIKey

VJUIYPDYTKCPSJ-UHFFFAOYSA-N

Smiles

c1([C@@](C(O[C@@H]2C[N@@](CCC2)C)=O)(C#CC)O)ccccc1

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#11273,