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Substance Name: Benzoic acid, 2,2-dimethyl-3-(4-methylpiperidino)propyl ester, hydrochloride
RN: 67114-22-1
InChIKey: YZCMOBHZFGELIY-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, 2,2-dimethyl-3-(4-methylpiperidino)propyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 67114-22-1

System Generated Number

  • 0067114221

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

InChIKey

YZCMOBHZFGELIY-UHFFFAOYSA-N

Smiles

[NH+]1(CC(COC(c2ccccc2)=O)(C)C)CCC(C)CC1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27mg/kg (27mg/kg)   Journal of the American Chemical Society. Vol. 68, Pg. 2592, 1946.