Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester
RN: 101711-12-0
InChIKey: NSARELXWXYQLNV-UHFFFAOYSA-N

Molecular Formula

  • C22-H27-N-O3

Molecular Weight

  • 353.459
 
* 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(2-phenylethyl)glycolate
  • RTECS OV6944000

Systematic Name

  • Mandelic acid, alpha-phenethyl-, 1-methyl-3-piperidyl ester

Registry Numbers

CAS Registry Number

  • 101711-12-0

System Generated Number

  • 0101711120

Structure Descriptors

InChI

1S/C22H27NO3/c1-23-16-8-13-20(17-23)26-21(24)22(25,19-11-6-3-7-12-19)15-14-18-9-4-2-5-10-18/h2-7,9-12,20,25H,8,13-17H2,1H3

InChIKey

NSARELXWXYQLNV-UHFFFAOYSA-N

Smiles

c1([C@@](C(O[C@@H]2C[N@@](CCC2)C)=O)(CCc2ccccc2)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 79mg/kg (79mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11246,