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Substance Name: Piperazinium, 1-methyl-1-piperonyl-4-(2-pyrimidinyl)-, iodide
RN: 21280-12-6
InChIKey: CCPIXLVBFBJQMO-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N4-O2.I

Molecular Weight

  • 440.279
 
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Names and Synonyms

Synonym

  • 1-Methyl-1-piperonyl-4-(2-pyrimidinyl)piperazinium iodide

Systematic Name

  • Piperazinium, 1-methyl-1-piperonyl-4-(2-pyrimidinyl)-, iodide

Registry Numbers

CAS Registry Number

  • 21280-12-6

System Generated Number

  • 0021280126

Molecular Formulas

Molecular Formula

  • C17-H21-N4-O2.I

Molecular Formula Fragments

  • C17-H21-N4-O2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C17H21N4O2.HI/c1-21(12-14-3-4-15-16(11-14)23-13-22-15)9-7-20(8-10-21)17-18-5-2-6-19-17;/h2-6,11H,7-10,12-13H2,1H3;1H/q+1;/p-1

InChIKey

CCPIXLVBFBJQMO-UHFFFAOYSA-M

Smiles

[N+]1(CCN(CC1)c1ncccn1)(Cc1cc2OCOc2cc1)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1151, 1968.