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Substance Name: Piperazine, 1-((4-methyl-3-nitrophenyl)methyl)-4-phenyl-
RN: 74101-69-2
InChIKey: YNACZFYRHNCOCM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-O2

Molecular Weight

  • 311.3829
 
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Names and Synonyms

Synonym

  • 2-Methyl-5-(N-phenylpiperazinomethyl)nitrobenzene

Systematic Name

  • Piperazine, 1-((4-methyl-3-nitrophenyl)methyl)-4-phenyl-

Registry Numbers

CAS Registry Number

  • 74101-69-2

System Generated Number

  • 0074101692

Structure Descriptors

InChI

1S/C18H21N3O2/c1-15-7-8-16(13-18(15)21(22)23)14-19-9-11-20(12-10-19)17-5-3-2-4-6-17/h2-8,13H,9-12,14H2,1H3

InChIKey

YNACZFYRHNCOCM-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1[N+](=O)[O-])CN2CCN(CC2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 18, Pg. 443, 1979.