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Substance Name: Piperazine, 1-(2,6-dimethylphenyl)-4-(3-pyridinylcarbonyl)-, monohydrochloride
RN: 124444-99-1
InChIKey: ROFUUKMJKLWWOW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-Cl-N3-O.Cl-H

Molecular Weight

  • 331.8448
 
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Names and Synonyms

Synonyms

  • 1-(2,6-Dimethylphenyl)-4-(3-pyridinylcarbonyl)piperazine monohydrochloride
  • B-1 382

Systematic Name

  • Piperazine, 1-(2,6-dimethylphenyl)-4-(3-pyridinylcarbonyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 124444-99-1

System Generated Number

  • 0124444991

Molecular Formulas

Molecular Formula

  • C18-H21-Cl-N3-O.Cl-H

Molecular Formula Fragments

  • C18-H21-Cl-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H21N3O.ClH/c1-14-5-3-6-15(2)17(14)20-9-11-21(12-10-20)18(22)16-7-4-8-19-13-16;/h3-8,13H,9-12H2,1-2H3;1H

InChIKey

ROFUUKMJKLWWOW-UHFFFAOYSA-N

Smiles

Cc1cccc(c1N2CCN(CC2)C(=O)c3cccnc3)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #4880807,