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Substance Name: 1-Piperazineethanamine, N,N-bis(1-methylethyl)-4-(2-pyridinyl)-, ethanedioate (1:3)
RN: 103840-59-1
InChIKey: WJCVNLMJNNADHM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H30-N4.3C2-H2-O4

Molecular Weight

  • 560.5534
 
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Names and Synonyms

Synonyms

  • N,N-Bis(1-methylethyl)-4-(2-pyridinyl)-1-piperazineethanamine ethanedioate (1:3)
  • N,N-Diisopropyl-4-(2-pyridinyl)-1-piperazineethanamine oxalate

Systematic Name

  • 1-Piperazineethanamine, N,N-bis(1-methylethyl)-4-(2-pyridinyl)-, ethanedioate (1:3)

Registry Numbers

CAS Registry Number

  • 103840-59-1

System Generated Number

  • 0103840591

Molecular Formulas

Molecular Formula

  • C17-H30-N4.3C2-H2-O4

Molecular Formula Fragments

  • C17-H30-N4
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H30N4.3C2H2O4/c1-15(2)21(16(3)4)14-11-19-9-12-20(13-10-19)17-7-5-6-8-18-17;3*3-1(4)2(5)6/h5-8,15-16H,9-14H2,1-4H3;3*(H,3,4)(H,5,6)

InChIKey

WJCVNLMJNNADHM-UHFFFAOYSA-N

Smiles

CC(C)N(CCN1CCN(CC1)c2ccccn2)C(C)C.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 95mg/kg (95mg/kg) LUNGS, THORAX, OR RESPIRATION: CYANOSIS United States Patent Document. Vol. #4673675,