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Substance Name: 4-Pyridinamine, 2,6-dimethyl-N-(2-(4-(diphenylmethylene)-1-piperidinyl)ethyl)-3-nitro-, hydrochloride, hydrate (1:2:2)
RN: 110629-28-2
InChIKey: XLYFMDVOJZYOAR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H30-N4-O2.2Cl-H.2H2-O

Molecular Weight

  • 515.4818
 
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Names and Synonyms

Synonym

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

Systematic Name

  • 4-Pyridinamine, 2,6-dimethyl-N-(2-(4-(diphenylmethylene)-1-piperidinyl)ethyl)-3-nitro-, hydrochloride, hydrate (1:2:2)

Registry Numbers

CAS Registry Number

  • 110629-28-2

System Generated Number

  • 0110629282

Molecular Formulas

Molecular Formula

  • C27-H30-N4-O2.2Cl-H.2H2-O

Molecular Formula Fragments

  • C27-H30-N4-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H30N4O2.2ClH/c1-20-19-25(27(31(32)33)21(2)29-20)28-15-18-30-16-13-24(14-17-30)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23;;/h3-12,19H,13-18H2,1-2H3,(H,28,29);2*1H

InChIKey

XLYFMDVOJZYOAR-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(n1)C)[N+](=O)[O-])NCCN2CCC(=C(c3ccccc3)c4ccccc4)CC2.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 600mg/kg (600mg/kg)   United States Patent Document. Vol. #4792554,