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Substance Name: Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 1-methyl-4-piperidyl ester
RN: 62869-67-4
InChIKey: HNFSQQPBCHYZKE-UHFFFAOYSA-N

Molecular Formula

  • C19-H23-N-O3

Molecular Weight

  • 313.395
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-piperidyl phenyl(3-methyl-but-1-yne-3-enyl)glycolate
  • alpha-(3-Methylbut-1-yn-3-enyl)mandelic acid 1-methyl-4-piperidyl ester

Systematic Name

  • Mandelic acid, alpha-(3-methylbut-1-yn-3-enyl)-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 62869-67-4

System Generated Number

  • 0062869674

Structure Descriptors

InChI

1S/C19H23NO3/c1-15(2)9-12-19(22,16-7-5-4-6-8-16)18(21)23-17-10-13-20(3)14-11-17/h4-8,17,22H,1,10-11,13-14H2,2-3H3

InChIKey

HNFSQQPBCHYZKE-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 25mg/kg (25mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11396,