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Substance Name: Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride
RN: 67048-35-5
InChIKey: UEMWGDFDYNQCSZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C33-H29-N-O3.Cl-H

Molecular Weight

  • 403.947
 
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Names and Synonyms

Synonym

  • p-Phenoxybenzoic acid 3-(2,6-dimethylpiperidino)propyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-phenoxy-, 3-(2,6-dimethylpiperidino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67048-35-5

System Generated Number

  • 0067048355

Molecular Formulas

Molecular Formula

  • C33-H29-N-O3.Cl-H

Molecular Formula Fragments

  • C33-H29-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29NO3.ClH/c1-18-8-6-9-19(2)24(18)16-7-17-26-23(25)20-12-14-22(15-13-20)27-21-10-4-3-5-11-21;/h3-5,10-15,18-19H,6-9,16-17H2,1-2H3;1H

InChIKey

UEMWGDFDYNQCSZ-UHFFFAOYSA-N

Smiles

[NH+]1([C@@H](CCC[C@@H]1C)C)CCCOC(c1ccc(Oc2ccccc2)cc1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.
mouse LD50 subcutaneous 160mg/kg (160mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.