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Substance Name: Benzoic acid, p-heptyloxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
RN: 67049-48-3
InChIKey: LIXPWWBGTWQDJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H37-N-O3.Cl-H

Molecular Weight

  • 412.01
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67049-48-3

System Generated Number

  • 0067049483

Molecular Formulas

Molecular Formula

  • C23-H37-N-O3.Cl-H

Molecular Formula Fragments

  • C23-H37-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H37NO3.ClH/c1-3-4-5-6-9-18-26-22-14-12-21(13-15-22)23(25)27-19-10-17-24-16-8-7-11-20(24)2;/h12-15,20H,3-11,16-19H2,1-2H3;1H

InChIKey

LIXPWWBGTWQDJO-UHFFFAOYSA-N

Smiles

c1(ccc(OCCCCCCC)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 23mg/kg (23mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.
mouse LD50 subcutaneous 222mg/kg (222mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.