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Substance Name: 1-Piperazinepropionic acid, 4-(2-pyridinyl)-, allyl ester, dihydrochloride
RN: 104373-88-8
InChIKey: NMVXCDNOGOROMF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N3-O2.2Cl-H

Molecular Weight

  • 348.2717
 
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Names and Synonyms

Synonym

  • 4-(2-Pyridinyl)-1-piperazinepropionic acid allyl ester dihydrochloride

Systematic Name

  • 1-Piperazinepropionic acid, 4-(2-pyridinyl)-, allyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 104373-88-8

System Generated Number

  • 0104373888

Molecular Formulas

Molecular Formula

  • C15-H21-N3-O2.2Cl-H

Molecular Formula Fragments

  • C15-H21-N3-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H21N3O2.2ClH/c1-2-13-20-15(19)6-8-17-9-11-18(12-10-17)14-5-3-4-7-16-14;;/h2-5,7H,1,6,8-13H2;2*1H

InChIKey

NMVXCDNOGOROMF-UHFFFAOYSA-N

Smiles

C=CCOC(=O)CCN1CCN(CC1)c2ccccn2.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 359mg/kg (359mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.
mouse LD50 oral > 2999mg/kg (2999mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.