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Substance Name: 1-Piperazinepropanamine, N,N-diethyl-4-(2-pyridinyl)-, ethanedioate (1:3)
RN: 103840-63-7
InChIKey: BILXATIHLNWXCS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H28-N4.3C2-H2-O4

Molecular Weight

  • 546.5266
 
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Names and Synonyms

Synonym

  • N,N-Diethyl-4-(2-pyridinyl)-1-piperazinepropanamine ethanedioate (1:3)

Systematic Name

  • 1-Piperazinepropanamine, N,N-diethyl-4-(2-pyridinyl)-, ethanedioate (1:3)

Registry Numbers

CAS Registry Number

  • 103840-63-7

System Generated Number

  • 0103840637

Molecular Formulas

Molecular Formula

  • C16-H28-N4.3C2-H2-O4

Molecular Formula Fragments

  • C16-H28-N4
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H28N4.3C2H2O4/c1-3-18(4-2)10-7-11-19-12-14-20(15-13-19)16-8-5-6-9-17-16;3*3-1(4)2(5)6/h5-6,8-9H,3-4,7,10-15H2,1-2H3;3*(H,3,4)(H,5,6)

InChIKey

BILXATIHLNWXCS-UHFFFAOYSA-N

Smiles

CCN(CC)CCCN1CCN(CC1)c2ccccn2.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 96mg/kg (96mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: CYANOSIS
United States Patent Document. Vol. #4673675,