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Substance Name: 1-Piperazineethanamine, 4-((4-chlorophenyl)phenylmethyl)-N-(2,6-dimethyl-3-nitro-4-pyridinyl)-, hydrochloride, hydrate (1:3:2)
RN: 110629-36-2
InChIKey: PVCHCISCQYSSGL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H30-Cl-N5-O2.3Cl-H.2H2-O

Molecular Weight

  • 589.3917
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110629-36-2

System Generated Number

  • 0110629362

Molecular Formulas

Molecular Formula

  • C26-H30-Cl-N5-O2.3Cl-H.2H2-O

Molecular Formula Fragments

  • C26-H30-Cl-N5-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C26H30ClN5O2.3ClH/c1-19-18-24(25(32(33)34)20(2)29-19)28-12-13-30-14-16-31(17-15-30)26(21-6-4-3-5-7-21)22-8-10-23(27)11-9-22;;;/h3-11,18,26H,12-17H2,1-2H3,(H,28,29);3*1H

InChIKey

PVCHCISCQYSSGL-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(n1)C)[N+](=O)[O-])NCCN2CCN(CC2)C(c3ccccc3)c4ccc(cc4)Cl.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,