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Substance Name: Benzoic acid, 3-(2-pentylpiperidino)propyl ester, hydrochloride
RN: 67031-97-4
InChIKey: GFJMMUJLCRWBNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O2.Cl-H

Molecular Weight

  • 353.931
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 67031-97-4

System Generated Number

  • 0067031974

Molecular Formulas

Molecular Formula

  • C20-H31-N-O2.Cl-H

Molecular Formula Fragments

  • C20-H31-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H31NO2.ClH/c1-2-3-5-13-19-14-8-9-15-21(19)16-10-17-23-20(22)18-11-6-4-7-12-18;/h4,6-7,11-12,19H,2-3,5,8-10,13-17H2,1H3;1H

InChIKey

GFJMMUJLCRWBNW-UHFFFAOYSA-N

Smiles

C1[N@@H+]([C@@H](CCC1)CCCCC)CCCOC(c1ccccc1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 19mg/kg (19mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.