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Substance Name: Benzoic acid, p-phenethyloxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
RN: 67032-00-2
InChIKey: CIOAIWMQORCKKW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N-O3.Cl-H

Molecular Weight

  • 417.974
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67032-00-2

System Generated Number

  • 0067032002

Molecular Formulas

Molecular Formula

  • C24-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C24-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31NO3.ClH/c1-20-8-5-6-16-25(20)17-7-18-28-24(26)22-11-13-23(14-12-22)27-19-15-21-9-3-2-4-10-21;/h2-4,9-14,20H,5-8,15-19H2,1H3;1H

InChIKey

CIOAIWMQORCKKW-UHFFFAOYSA-N

Smiles

c1(ccc(OCCc2ccccc2)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 26mg/kg (26mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.
mouse LD50 subcutaneous 272mg/kg (272mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.