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Substance Name: 1-Piperazineethanamine, 4-(diphenylmethyl)-N-(3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:1)
RN: 110629-42-0
InChIKey: DIFKJFNSZQOFTE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H27-N5-O2.3Cl-H.H2-O

Molecular Weight

  • 526.893
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110629-42-0

System Generated Number

  • 0110629420

Molecular Formulas

Molecular Formula

  • C24-H27-N5-O2.3Cl-H.H2-O

Molecular Formula Fragments

  • C24-H27-N5-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C24H27N5O2.3ClH/c30-29(31)23-19-25-12-11-22(23)26-13-14-27-15-17-28(18-16-27)24(20-7-3-1-4-8-20)21-9-5-2-6-10-21;;;/h1-12,19,24H,13-18H2,(H,25,26);3*1H

InChIKey

DIFKJFNSZQOFTE-UHFFFAOYSA-N

Smiles

c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)CCNc4ccncc4[N+](=O)[O-].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,