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Substance Name: Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride
RN: 87787-57-3
InChIKey: DKYNUCTZWAUAML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H18-N4-O2.2Cl-H

Molecular Weight

  • 383.277
 
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Names and Synonyms

Synonyms

  • (Benzodioxinyl-6 methyl)-1 (pyrimidinyl-2)-4 piperazine dichlorhydrate
  • (Benzodioxinyl-6 methyl)-1 (pyrimidinyl-2)-4 piperazine dichlorhydrate [French]
  • 1,4-Benzodioxin, 6-((4-(2-pyrimidinyl)-1-piperazinyl)methyl)-, dihydrochloride
  • 2-(4-(1,4-Benzodioxin-6-ylmethyl)-1-piperazinyl)pyrimidine dihydrochloride
  • Piperazine, 1-(1,4-benzodioxin-6-ylmethyl)-4-(2-pyrimidinyl)-, dihydrochloride

Systematic Name

  • Pyrimidine, 2-(4-(1,4-benzodioxin-6-ylmethyl)-1-piperazinyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 87787-57-3

System Generated Number

  • 0087787573

Molecular Formulas

Molecular Formula

  • C17-H18-N4-O2.2Cl-H

Molecular Formula Fragments

  • C17-H18-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H18N4O2.2ClH/c1-4-18-17(19-5-1)21-8-6-20(7-9-21)13-14-2-3-15-16(12-14)23-11-10-22-15;;/h1-5,10-12H,6-9,13H2;2*1H

InChIKey

DKYNUCTZWAUAML-UHFFFAOYSA-N

Smiles

c1cnc(nc1)N2CCN(CC2)Cc3ccc4c(c3)OC=CO4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   European Patent Application. Vol. #0084993,