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Substance Name: 3-Piperidinecarboxylic acid, 4-hydroxy-1-isobutyl-, ethyl ester, benzoate (ester), hydrochloride
RN: 78219-28-0
InChIKey: DVVSGOGXJRGCAR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H27-N-O4.Cl-H

Molecular Weight

  • 369.8862
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78219-28-0

System Generated Number

  • 0078219280

Molecular Formulas

Molecular Formula

  • C19-H27-N-O4.Cl-H

Molecular Formula Fragments

  • C19-H27-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C19H27NO4.ClH/c1-4-23-19(22)16-13-20(12-14(2)3)11-10-17(16)24-18(21)15-8-6-5-7-9-15;/h5-9,14,16-17H,4,10-13H2,1-3H3;1H

InChIKey

DVVSGOGXJRGCAR-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 2500mg/kg (2500mg/kg)   Journal of the American Chemical Society. Vol. 48, Pg. 2179, 1926.