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Substance Name: Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride
RN: 130564-60-2
InChIKey: YMYABMMFJOQVBX-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N3-O2-S.Cl-H

Molecular Weight

  • 377.894
 
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Names and Synonyms

Synonym

  • 1-((2-Nitrophenyl)thioxomethyl)-4-(phenylmethyl)piperazine monohydrochloride

Systematic Name

  • Piperazine, 1-((2-nitrophenyl)thioxomethyl)-4-(phenylmethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 130564-60-2

System Generated Number

  • 0130564602

Molecular Formulas

Molecular Formula

  • C18-H19-N3-O2-S.Cl-H

Molecular Formula Fragments

  • C18-H19-N3-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19N3O2S.ClH/c22-21(23)17-9-5-4-8-16(17)18(24)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15;/h1-9H,10-14H2;1H

InChIKey

YMYABMMFJOQVBX-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CN2CCN(CC2)C(=S)c3ccccc3[N+](=O)[O-].Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 700mg/kg (700mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 1817, 1990.