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Substance Name: 3-Pyridinecarboxylic acid, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-,hydrochloride, hydrate (1:3:2)
RN: 110629-27-1
InChIKey: BVKICHXWQLUQTM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H32-N4-O2.3Cl-H.2H2-O

Molecular Weight

  • 553.9585
 
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Names and Synonyms

Synonym

  • 2,6-Dimethyl-4-((2-(4-diphenylmethyl-1-piperazinyl)ethyl)amino)pyridine-2-carboxylic acid 3HCl

Systematic Name

  • 3-Pyridinecarboxylic acid, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-,hydrochloride, hydrate (1:3:2)

Registry Numbers

CAS Registry Number

  • 110629-27-1

System Generated Number

  • 0110629271

Molecular Formulas

Molecular Formula

  • C27-H32-N4-O2.3Cl-H.2H2-O

Molecular Formula Fragments

  • C27-H32-N4-O2
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H32N4O2.3ClH/c1-20-19-24(25(27(32)33)21(2)29-20)28-13-14-30-15-17-31(18-16-30)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23;;;/h3-12,19,26H,13-18H2,1-2H3,(H,28,29)(H,32,33);3*1H

InChIKey

BVKICHXWQLUQTM-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(n1)C)C(=O)O)NCCN2CCN(CC2)C(c3ccccc3)c4ccccc4.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4792554,