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Substance Name: Benzoic acid, 5-(2-methylpiperidino)pentyl ester, hydrochloride
RN: 67031-93-0
InChIKey: JQICOYIZZYLVHP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O2.Cl-H

Molecular Weight

  • 325.877
 
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Names and Synonyms

  • Benzoic acid, 5-(2-methylpiperidino)pentyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67031-93-0

System Generated Number

  • 0067031930

Molecular Formulas

Molecular Formula

  • C18-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C18-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27NO2.ClH/c1-16-10-6-8-14-19(16)13-7-3-9-15-21-18(20)17-11-4-2-5-12-17;/h2,4-5,11-12,16H,3,6-10,13-15H2,1H3;1H

InChIKey

JQICOYIZZYLVHP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 17mg/kg (17mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.