Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, p-pentoxy-, 3-(2-methylpiperidino)propyl ester, hydrochloride
RN: 67070-19-3
InChIKey: IHUQCLGHTDMGHR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H33-N-O3.Cl-H

Molecular Weight

  • 383.957
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 67070-19-3

System Generated Number

  • 0067070193

Molecular Formulas

Molecular Formula

  • C21-H33-N-O3.Cl-H

Molecular Formula Fragments

  • C21-H33-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H33NO3.ClH/c1-3-4-7-16-24-20-12-10-19(11-13-20)21(23)25-17-8-15-22-14-6-5-9-18(22)2;/h10-13,18H,3-9,14-17H2,1-2H3;1H

InChIKey

IHUQCLGHTDMGHR-UHFFFAOYSA-N

Smiles

c1(ccc(OCCCCC)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 24mg/kg (24mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.
mouse LD50 subcutaneous 202mg/kg (202mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.