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Substance Name: Benzoic acid, p-benzyloxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
RN: 67031-60-1
InChIKey: CTTNOGSCNAAGKY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N-O3.Cl-H

Molecular Weight

  • 403.947
 
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Names and Synonyms

Synonym

  • p-Benzyloxybenzoic acid 3-(2-methylpiperidino)propyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-benzyloxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67031-60-1

System Generated Number

  • 0067031601

Molecular Formulas

Molecular Formula

  • C23-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO3.ClH/c1-19-8-5-6-15-24(19)16-7-17-26-23(25)21-11-13-22(14-12-21)27-18-20-9-3-2-4-10-20;/h2-4,9-14,19H,5-8,15-18H2,1H3;1H

InChIKey

CTTNOGSCNAAGKY-UHFFFAOYSA-N

Smiles

c1(ccc(OCc2ccccc2)cc1)C(OCCC[N@@H+]1[C@@H](CCCC1)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 53mg/kg (53mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.
mouse LD50 subcutaneous 187mg/kg (187mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.