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Substance Name: Mandelic acid, alpha-isopropenyl-, 1-methyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester
RN: 101710-97-8
InChIKey: AHUYBKUKIJKAPW-UHFFFAOYSA-N

Molecular Formula

  • C18-H23-N-O3

Molecular Weight

  • 301.384
 
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Names and Synonyms

Synonym

  • 3-(1-Methyl-1,2,5,6-tetrahydropyridine)methyl phenyl(iso-propenyl)glycolate

Systematic Name

  • Mandelic acid, alpha-isopropenyl-, 1-methyl-1,2,5,6-tetrahydro-3-pyridylmethyl ester

Registry Numbers

CAS Registry Number

  • 101710-97-8

System Generated Number

  • 0101710978

Structure Descriptors

InChI

1S/C18H23NO3/c1-14(2)18(21,16-9-5-4-6-10-16)17(20)22-13-15-8-7-11-19(3)12-15/h4-6,9-10,12,21H,1,7-8,11,13H2,2-3H3

InChIKey

AHUYBKUKIJKAPW-UHFFFAOYSA-N

Smiles

c1([C@@](C(OCC2=CN(CCC2)C)=O)(C(C)=C)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#11789,