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Substance Name: 1-Piperazineethanamine, N-(2,6-dimethyl-3-nitro-4-pyridinyl)-4-(diphenylmethyl)-N-methyl-, hydrochloride, hydrate (1:3:1)
RN: 110629-35-1
InChIKey: XDBVCTWIXHLILJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H33-N5-O2.3Cl-H.H2-O

Molecular Weight

  • 568.9734
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 110629-35-1

System Generated Number

  • 0110629351

Molecular Formulas

Molecular Formula

  • C27-H33-N5-O2.3Cl-H.H2-O

Molecular Formula Fragments

  • C27-H33-N5-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H33N5O2.3ClH/c1-21-20-25(28-22(2)26(21)32(33)34)29(3)14-15-30-16-18-31(19-17-30)27(23-10-6-4-7-11-23)24-12-8-5-9-13-24;;;/h4-13,20,27H,14-19H2,1-3H3;3*1H

InChIKey

XDBVCTWIXHLILJ-UHFFFAOYSA-N

Smiles

Cc1cc(nc(c1[N+](=O)[O-])C)N(C)CCN2CCN(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,