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Substance Name: 3-Piperidinecarboxylic acid, 4-hydroxy-1-isopentyl-, ethyl ester, benzoate (ester), hydrochloride
RN: 101997-65-3
InChIKey: BGCWTEHZXHXRSH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H29-N-O4.Cl-H

Molecular Weight

  • 383.913
 
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Names and Synonyms

Synonym

  • Benzoic acid, 1-isopentyl-3-carbethoxy-4-piperidyl ester hydrochloride

Systematic Name

  • 3-Piperidinecarboxylic acid, 4-hydroxy-1-isopentyl-, ethyl ester, benzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 101997-65-3

System Generated Number

  • 0101997653

Molecular Formulas

Molecular Formula

  • C20-H29-N-O4.Cl-H

Molecular Formula Fragments

  • C20-H29-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H29NO4.ClH/c1-4-24-20(23)17-14-21(12-10-15(2)3)13-11-18(17)25-19(22)16-8-6-5-7-9-16;/h5-9,15,17-18H,4,10-14H2,1-3H3;1H

InChIKey

BGCWTEHZXHXRSH-UHFFFAOYSA-N

Smiles

CCOC(=O)C1CN(CCC1OC(=O)c2ccccc2)CCC(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 4500mg/kg (4500mg/kg)   Journal of the American Chemical Society. Vol. 48, Pg. 2179, 1926.