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Substance Name: 1H-Azepine, hexahydro-1-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-, ethanedioate (1:3)
RN: 103840-61-5
InChIKey: ZTTYFJVYEAYBPM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N4.3C2-H2-O4

Molecular Weight

  • 558.5376
 
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Names and Synonyms

Synonym

  • Hexahydro-1-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-1H-azepine ethanedioate (1:3)

Systematic Name

  • 1H-Azepine, hexahydro-1-(2-(4-(2-pyridinyl)-1-piperazinyl)ethyl)-, ethanedioate (1:3)

Registry Numbers

CAS Registry Number

  • 103840-61-5

System Generated Number

  • 0103840615

Molecular Formulas

Molecular Formula

  • C17-H28-N4.3C2-H2-O4

Molecular Formula Fragments

  • C17-H28-N4
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28N4.3C2H2O4/c1-2-6-10-19(9-5-1)11-12-20-13-15-21(16-14-20)17-7-3-4-8-18-17;3*3-1(4)2(5)6/h3-4,7-8H,1-2,5-6,9-16H2;3*(H,3,4)(H,5,6)

InChIKey

ZTTYFJVYEAYBPM-UHFFFAOYSA-N

Smiles

c1ccnc(c1)N2CCN(CC2)CCN3CCCCCC3.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 84mg/kg (84mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
United States Patent Document. Vol. #4673675,