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Substance Name: Mandelic acid, 3,4-dimethoxy-alpha-isopropenyl-, 1-methyl-4-piperidyl ester
RN: 101710-94-5
InChIKey: NIHALXQKTUBPOF-UHFFFAOYSA-N

Molecular Formula

  • C19-H27-N-O5

Molecular Weight

  • 349.424
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-piperidyl 3,4-dimethoxyphenyl(isopropenyl)glycolate
  • 3-Butenoic acid, 2-hydroxy-3-methyl-2-(3,4-dimethoxyphenyl)-, 1-methyl-4-piperidyl ester

Systematic Name

  • Mandelic acid, 3,4-dimethoxy-alpha-isopropenyl-, 1-methyl-4-piperidyl ester

Registry Numbers

CAS Registry Number

  • 101710-94-5

System Generated Number

  • 0101710945

Structure Descriptors

InChI

1S/C19H27NO5/c1-13(2)19(22,14-6-7-16(23-4)17(12-14)24-5)18(21)25-15-8-10-20(3)11-9-15/h6-7,12,15,22H,1,8-11H2,2-5H3

InChIKey

NIHALXQKTUBPOF-UHFFFAOYSA-N

Smiles

c1([C@@](C(OC2CCN(C)CC2)=O)(C(C)=C)O)cc(c(OC)cc1)OC

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#11835,