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Substance Name: Piperazine, 1-(2-methyl-3-(4-nitrophenyl)-1-oxo-2-propenyl)-4-phenyl-
RN: 76691-30-0
InChIKey: ZAHPBGDNCLKCCI-FOCLMDBBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N3-O3

Molecular Weight

  • 351.4039
 
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Names and Synonyms

Synonyms

  • 1-(2-Methyl-3-(4-nitrophenyl)-1-oxo-2-propenyl)-4-phenylpiperazine
  • BRN 4565754

Systematic Name

  • Piperazine, 1-(2-methyl-3-(4-nitrophenyl)-1-oxo-2-propenyl)-4-phenyl-

Registry Numbers

CAS Registry Number

  • 76691-30-0

System Generated Number

  • 0076691300

Structure Descriptors

InChI

1S/C20H21N3O3/c1-16(15-17-7-9-19(10-8-17)23(25)26)20(24)22-13-11-21(12-14-22)18-5-3-2-4-6-18/h2-10,15H,11-14H2,1H3/b16-15+

InChIKey

ZAHPBGDNCLKCCI-FOCLMDBBSA-N

Smiles

C/C(=C\c1ccc(cc1)[N+](=O)[O-])/C(=O)N2CCN(CC2)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 19, Pg. 695, 1980.