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Substance Name: Benzonitrile, 4-(2,3-dihydro-5-methyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-3-oxo-1H-pyrazol-1-yl)-, hydrochloride
RN: 104417-35-8
InChIKey: IOXNKEAWVVOHTB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H28-N6-O.x-Cl-H

Molecular Weight

  • 452.9871
 
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Names and Synonyms

  • Benzonitrile, 4-(2,3-dihydro-5-methyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-3-oxo-1H-pyrazol-1-yl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 104417-35-8

System Generated Number

  • 0104417358

Molecular Formulas

Molecular Formula

  • C24-H28-N6-O.x-Cl-H

Molecular Formula Fragments

  • C24-H28-N6-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H28N6O.ClH/c1-19-8-9-26-23(16-19)28-14-12-27(13-15-28)10-3-11-29-24(31)17-20(2)30(29)22-6-4-21(18-25)5-7-22;/h4-9,16-17H,3,10-15H2,1-2H3;1H

InChIKey

IOXNKEAWVVOHTB-UHFFFAOYSA-N

Smiles

Cc1ccnc(c1)N2CCN(CC2)CCCn3c(=O)cc(n3c4ccc(cc4)C#N)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 101mg/kg (101mg/kg)   United States Patent Document. Vol. #4672063,