Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Mandelic acid, alpha-ethynyl-, 1-methyl-4-piperidyl ester
RN: 92997-40-5
InChIKey: PXPGZBNLUTXHFM-UHFFFAOYSA-N

Molecular Formula

  • C16-H19-N-O3

Molecular Weight

  • 273.33
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 1-Methyl-4-piperidyl phenyl(ethynyl)glycolate
  • alpha-Ethynylmandelic acid 1-methyl-4-piperidyl ester

Systematic Name

  • Mandelic acid, alpha-ethynyl-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 92997-40-5

System Generated Number

  • 0092997405

Structure Descriptors

InChI

1S/C16H19NO3/c1-3-16(19,13-7-5-4-6-8-13)15(18)20-14-9-11-17(2)12-10-14/h1,4-8,14,19H,9-12H2,2H3

InChIKey

PXPGZBNLUTXHFM-UHFFFAOYSA-N

Smiles

c1([C@@](C(OC2CCN(C)CC2)=O)(C#C)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 63mg/kg (63mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11232,