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Substance Name: Centhaquine
RN: 57961-90-7
InChIKey: UJNWGFBJUHIJKK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H25-N3

Molecular Weight

  • 331.461
 
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Names and Synonyms

Name of Substance

  • Centhaquine

Synonyms

  • 1-(beta(2-Quinolyl)ethyl)-4-m-tolylpiperazine
  • 2-(2-(4-(3-Methylphenyl)-1-piperazinyl)ethyl)quinoline
  • 5-23-03-00078 (Beilstein Handbook Reference)
  • BRN 0563681
  • Centhaquine
  • Compound 7173

Systematic Name

  • Quinoline, 2-(2-(4-(3-methylphenyl)-1-piperazinyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 57961-90-7

System Generated Number

  • 0057961907

Structure Descriptors

InChI

1S/C22H25N3/c1-18-5-4-7-21(17-18)25-15-13-24(14-16-25)12-11-20-10-9-19-6-2-3-8-22(19)23-20/h2-10,17H,11-16H2,1H3

InChIKey

UJNWGFBJUHIJKK-UHFFFAOYSA-N

Smiles

n1c(ccc2ccccc12)CCN1CCN(CC1)c1cc(ccc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 28, Pg. 934, 1989.
rat LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Drugs of the Future. Vol. 9, Pg. 104, 1984.