Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride
RN: 67031-86-1
InChIKey: KNEBKPAADGTRIF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N-O2.Cl-H

Molecular Weight

  • 361.91
 
* 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

  • Benzoic acid, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67031-86-1

System Generated Number

  • 0067031861

Molecular Formulas

Molecular Formula

  • C21-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C21-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27NO2.ClH/c1-22(16-9-8-13-19-11-4-2-5-12-19)17-10-18-24-21(23)20-14-6-3-7-15-20;/h2-7,11-12,14-15H,8-10,13,16-18H2,1H3;1H

InChIKey

KNEBKPAADGTRIF-UHFFFAOYSA-N

Smiles

c1(C(OCCC[N@@H+](CCCCc2ccccc2)C)=O)ccccc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 2gm/kg (2000mg/kg)   Journal of the American Chemical Society. Vol. 53, Pg. 1587, 1931.
rat LDLo intravenous 50mg/kg (50mg/kg)   Journal of the American Chemical Society. Vol. 53, Pg. 1587, 1931.