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Substance Name: 1-Piperazineethanamine, N-(2,6-dimethyl-3-nitro-4-pyridinyl)-4-(diphenylmethyl)-, N-oxide, hydrochloride, hydrate (1:3:2)
RN: 110629-23-7
InChIKey: IJYIISXILFEMPN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H31-N5-O3.3Cl-H.2H2-O

Molecular Weight

  • 570.9456
 
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Names and Synonyms

  • 1-Piperazineethanamine, N-(2,6-dimethyl-3-nitro-4-pyridinyl)-4-(diphenylmethyl)-, N-oxide, hydrochloride, hydrate (1:3:2)

Registry Numbers

CAS Registry Number

  • 110629-23-7

System Generated Number

  • 0110629237

Molecular Formulas

Molecular Formula

  • C26-H31-N5-O3.3Cl-H.2H2-O

Molecular Formula Fragments

  • C26-H31-N5-O3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H31N5O3.3ClH/c1-20-19-24(25(31(33)34)21(2)30(20)32)27-13-14-28-15-17-29(18-16-28)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23;;;/h3-12,19,26-27H,13-18H2,1-2H3;3*1H

InChIKey

IJYIISXILFEMPN-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(n1=O)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 > 150mg/kg (150mg/kg)   United States Patent Document. Vol. #4792554,