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Substance Name: 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride
RN: 3414-31-1
InChIKey: NPZPATJQIUVYTP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H14-Cl-N-O2.Cl-H

Molecular Weight

  • 312.194
 
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Names and Synonyms

Synonym

  • Benzoic acid, 2-chloro-, (3-(4-pyridyl)propyl) ester, hydrochloride

Systematic Name

  • 4-Pyridinepropanol, 2-chlorobenzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 3414-31-1

System Generated Number

  • 0003414311

Molecular Formulas

Molecular Formula

  • C15-H14-Cl-N-O2.Cl-H

Molecular Formula Fragments

  • C15-H14-Cl-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H14ClNO2.ClH/c16-14-6-2-1-5-13(14)15(18)19-11-3-4-12-7-9-17-10-8-12;/h1-2,5-10H,3-4,11H2;1H

InChIKey

NPZPATJQIUVYTP-UHFFFAOYSA-N

Smiles

C(c1c(cccc1)Cl)(=O)OCCCc1ccncc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 151, 1966.