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Substance Name: Benzoic acid, 3-(2-hexylpiperidino)propyl ester, hydrochloride
RN: 67049-50-7
InChIKey: NFOUKKOOJXTOGA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H33-N-O2.Cl-H

Molecular Weight

  • 367.958
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 67049-50-7

System Generated Number

  • 0067049507

Molecular Formulas

Molecular Formula

  • C21-H33-N-O2.Cl-H

Molecular Formula Fragments

  • C21-H33-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H33NO2.ClH/c1-2-3-4-8-14-20-15-9-10-16-22(20)17-11-18-24-21(23)19-12-6-5-7-13-19;/h5-7,12-13,20H,2-4,8-11,14-18H2,1H3;1H

InChIKey

NFOUKKOOJXTOGA-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22mg/kg (22mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.