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Substance Name: Benzoic acid, p-phenoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
RN: 67031-66-7
InChIKey: YZUVHOBGEOSTLE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N-O3.Cl-H

Molecular Weight

  • 389.92
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67031-66-7

System Generated Number

  • 0067031667

Molecular Formulas

Molecular Formula

  • C22-H27-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H27-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H27NO3.ClH/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20;/h2-4,9-14,18H,5-8,15-17H2,1H3;1H

InChIKey

YZUVHOBGEOSTLE-UHFFFAOYSA-N

Smiles

c1(Oc2ccccc2)ccc(C(OCCC[N@@H+]2[C@@H](CCCC2)C)=O)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 35mg/kg (35mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.
mouse LD50 subcutaneous 156mg/kg (156mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.