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Substance Name: 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate
RN: 110629-32-8
InChIKey: WUDDMVCGSDHZDQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H31-N5-O.3Cl-H.H2-O

Molecular Weight

  • 550.9586
 
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Names and Synonyms

  • 3-Pyridinecarbonitrile, 2,6-dimethyl-4-((2-(4-(diphenylmethyl)-1-piperazinyl)ethyl)amino)-, 1-oxide, trihydrochloride, hydrate

Registry Numbers

CAS Registry Number

  • 110629-32-8

System Generated Number

  • 0110629328

Molecular Formulas

Molecular Formula

  • C27-H31-N5-O.3Cl-H.H2-O

Molecular Formula Fragments

  • C27-H31-N5-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C27H31N5O.3ClH/c1-21-19-26(25(20-28)22(2)32(21)33)29-13-14-30-15-17-31(18-16-30)27(23-9-5-3-6-10-23)24-11-7-4-8-12-24;;;/h3-12,19,27,29H,13-18H2,1-2H3;3*1H

InChIKey

WUDDMVCGSDHZDQ-UHFFFAOYSA-N

Smiles

Cc1cc(c(c([n+]1[O-])C)C#N)NCCN2CCN(CC2)C(c3ccccc3)c4ccccc4.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   United States Patent Document. Vol. #4792554,