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Substance Name: Benzoic acid, 3-(4-methylpiperidino)butyl ester, hydrochloride
RN: 67031-89-4
InChIKey: UWMKFJUKMZDRHF-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-(4-methylpiperidino)butyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67031-89-4

System Generated Number

  • 0067031894

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

InChIKey

UWMKFJUKMZDRHF-UHFFFAOYSA-N

Smiles

[NH+]1([C@@H](CCOC(c2ccccc2)=O)C)CCC(C)CC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.