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Substance Name: 1-Piperazinepropionic acid, beta-methyl-4-(2-pyridinyl)-, ethyl ester, dihydrochloride
RN: 104373-92-4
InChIKey: XWBPWJQSAYQWHF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H23-N3-O2.2Cl-H

Molecular Weight

  • 350.2875
 
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Names and Synonyms

Synonym

  • beta-Methyl-4-(2-pyridinyl)-1-piperazinepropionic acid ethyl ester dihydrochloride

Systematic Name

  • 1-Piperazinepropionic acid, beta-methyl-4-(2-pyridinyl)-, ethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 104373-92-4

System Generated Number

  • 0104373924

Molecular Formulas

Molecular Formula

  • C15-H23-N3-O2.2Cl-H

Molecular Formula Fragments

  • C15-H23-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H23N3O2.2ClH/c1-3-20-15(19)12-13(2)17-8-10-18(11-9-17)14-6-4-5-7-16-14;;/h4-7,13H,3,8-12H2,1-2H3;2*1H

InChIKey

XWBPWJQSAYQWHF-UHFFFAOYSA-N

Smiles

CCOC(=O)CC(C)N1CCN(CC1)c2ccccn2.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 2399mg/kg (2399mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.