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Substance Name: Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester
RN: 63917-13-5
InChIKey: PPNCDMBYKKWNCV-UHFFFAOYSA-N

Molecular Formula

  • C21-H31-N-O3

Molecular Weight

  • 345.48
 
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Names and Synonyms

Synonyms

  • 1-Ethyl-3-piperidyl-alpha-cyclohexyl mandelate
  • 4-21-00-00028 (Beilstein Handbook Reference)
  • BRN 0318464
  • JB 328

Systematic Name

  • Mandelic acid, alpha-cyclohexyl-, 1-ethyl-3-piperidyl ester

Registry Numbers

CAS Registry Number

  • 63917-13-5

System Generated Number

  • 0063917135

Structure Descriptors

InChI

1S/C21H31NO3/c1-2-22-15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3,5-6,10-11,18-19,24H,2,4,7-9,12-16H2,1H3

InChIKey

PPNCDMBYKKWNCV-UHFFFAOYSA-N

Smiles

c1([C@@](C2CCCCC2)(C(O[C@@H]2C[N@@](CCC2)CC)=O)O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 37mg/kg (37mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 120, Pg. 186, 1959.
rat LD50 intravenous 20mg/kg (20mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP
Archives Internationales de Pharmacodynamie et de Therapie. Vol. 120, Pg. 186, 1959.