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Substance Name: 3-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride
RN: 3414-26-4
InChIKey: YTOIFWBBZPQURF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H13-Cl2-N-O2.Cl-H

Molecular Weight

  • 346.64
 
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Names and Synonyms

Synonym

  • Benzoic acid, 3,5-dichloro-, 3-(3-pyridyl)propyl ester, hydrochloride

Systematic Name

  • 3-Pyridinepropanol, 3,5-dichlorobenzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 3414-26-4

System Generated Number

  • 0003414264

Molecular Formulas

Molecular Formula

  • C15-H13-Cl2-N-O2.Cl-H

Molecular Formula Fragments

  • C15-H13-Cl2-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H13Cl2NO2.ClH/c16-13-7-12(8-14(17)9-13)15(19)20-6-2-4-11-3-1-5-18-10-11;/h1,3,5,7-10H,2,4,6H2;1H

InChIKey

YTOIFWBBZPQURF-UHFFFAOYSA-N

Smiles

C(c1cc(cc(c1)Cl)Cl)(=O)OCCCc1cnccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 290mg/kg (290mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 151, 1966.