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Substance Name: Benzoic acid, 3-(2,4,6-trimethylpiperidino)propyl ester, hydrochloride
RN: 67031-65-6
InChIKey: JUJIDFQXIBBKTC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N-O2.Cl-H

Molecular Weight

  • 325.877
 
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Names and Synonyms

  • Benzoic acid, 3-(2,4,6-trimethylpiperidino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67031-65-6

System Generated Number

  • 0067031656

Molecular Formulas

Molecular Formula

  • C18-H27-N-O2.Cl-H

Molecular Formula Fragments

  • C18-H27-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H27NO2.ClH/c1-14-12-15(2)19(16(3)13-14)10-7-11-21-18(20)17-8-5-4-6-9-17;/h4-6,8-9,14-16H,7,10-13H2,1-3H3;1H

InChIKey

JUJIDFQXIBBKTC-UHFFFAOYSA-N

Smiles

[NH+]1([C@@H](CC(C)C[C@@H]1C)C)CCCOC(c1ccccc1)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 15mg/kg (15mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.