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Substance Name: 1-Piperazinepropionic acid, 4-(2-pyridinyl)-, ethyl ester, hydrochloride, hydrate (1:2:1)
RN: 104373-87-7
InChIKey: YCQADZDYCHPXMU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N3-O2.2Cl-H.H2-O

Molecular Weight

  • 354.2755
 
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Names and Synonyms

Synonym

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

Systematic Name

  • 1-Piperazinepropionic acid, 4-(2-pyridinyl)-, ethyl ester, hydrochloride, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 104373-87-7

System Generated Number

  • 0104373877

Molecular Formulas

Molecular Formula

  • C14-H21-N3-O2.2Cl-H.H2-O

Molecular Formula Fragments

  • C14-H21-N3-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C14H21N3O2.2ClH.H2O/c1-2-19-14(18)6-8-16-9-11-17(12-10-16)13-5-3-4-7-15-13;;;/h3-5,7H,2,6,8-12H2,1H3;2*1H;1H2

InChIKey

YCQADZDYCHPXMU-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1800mg/kg (1800mg/kg)   Journal of Medicinal Chemistry. Vol. 30, Pg. 13, 1987.