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Substance Name: 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, trihydrochloride
RN: 110629-31-7
InChIKey: RYQAOACXTMNWFD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-N5.3Cl-H

Molecular Weight

  • 534.9596
 
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Names and Synonyms

  • 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 110629-31-7

System Generated Number

  • 0110629317

Molecular Formulas

Molecular Formula

  • C27-H31-N5.3Cl-H

Molecular Formula Fragments

  • C27-H31-N5
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C27H31N5.3ClH/c1-21-19-26(25(20-28)22(2)30-21)29-13-14-31-15-17-32(18-16-31)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24;;;/h3-12,19,27H,13-18H2,1-2H3,(H,29,30);3*1H

InChIKey

RYQAOACXTMNWFD-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(n1)C)C#N)NCCN2CCN(CC2)C(c3ccccc3)c4ccccc4.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4792554,