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Substance Name: Benzoic acid, 3-(2,3-dimethylpiperidino)propyl ester, hydrochloride
RN: 67049-56-3
InChIKey: CIIFYDLGDPQQSR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H25-N-O2.Cl-H

Molecular Weight

  • 311.85
 
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Names and Synonyms

  • Benzoic acid, 3-(2,3-dimethylpiperidino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67049-56-3

System Generated Number

  • 0067049563

Molecular Formulas

Molecular Formula

  • C17-H25-N-O2.Cl-H

Molecular Formula Fragments

  • C17-H25-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H25NO2.ClH/c1-14-8-6-11-18(15(14)2)12-7-13-20-17(19)16-9-4-3-5-10-16;/h3-5,9-10,14-15H,6-8,11-13H2,1-2H3;1H

InChIKey

CIIFYDLGDPQQSR-UHFFFAOYSA-N

Smiles

C1[N@@H+]([C@@H]([C@@H](CC1)C)C)CCCOC(c1ccccc1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.
mouse LD50 subcutaneous 1600mg/kg (1600mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.