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Substance Name: 1-Piperazineethanamine, N-(2,6-dimethyl-3-nitro-4-pyridinyl)-4-(diphenylmethyl)-, trihydrochloride
RN: 110629-25-9
InChIKey: VYAGFSLMTCXVGS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N5-O2.3Cl-H

Molecular Weight

  • 554.9466
 
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Names and Synonyms

Synonym

  • 2,6-Dimethyl-3-nitro-4-((2-(4-diphenylmethyl-1-piperazinyl)ethyl)amino)pyridine 3HCl

Systematic Name

  • 1-Piperazineethanamine, N-(2,6-dimethyl-3-nitro-4-pyridinyl)-4-(diphenylmethyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 110629-25-9

System Generated Number

  • 0110629259

Molecular Formulas

Molecular Formula

  • C26-H31-N5-O2.3Cl-H

Molecular Formula Fragments

  • C26-H31-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C26H31N5O2.3ClH/c1-20-19-24(25(31(32)33)21(2)28-20)27-13-14-29-15-17-30(18-16-29)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23;;;/h3-12,19,26H,13-18H2,1-2H3,(H,27,28);3*1H

InChIKey

VYAGFSLMTCXVGS-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(n1)C)[N+](=O)[O-])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,