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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-1-phenyl-5-propyl-, hydrochloride
RN: 104416-82-2
InChIKey: ZGWRLZQXDPXSKQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H33-N5-O.x-Cl-H

Molecular Weight

  • 456.0306
 
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Names and Synonyms

  • 3H-Pyrazol-3-one, 1,2-dihydro-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-1-phenyl-5-propyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 104416-82-2

System Generated Number

  • 0104416822

Molecular Formulas

Molecular Formula

  • C25-H33-N5-O.x-Cl-H

Molecular Formula Fragments

  • C25-H33-N5-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H33N5O.ClH/c1-3-8-23-20-25(31)29(30(23)22-9-5-4-6-10-22)14-7-13-27-15-17-28(18-16-27)24-19-21(2)11-12-26-24;/h4-6,9-12,19-20H,3,7-8,13-18H2,1-2H3;1H

InChIKey

ZGWRLZQXDPXSKQ-UHFFFAOYSA-N

Smiles

CCCc1cc(=O)n(n1c2ccccc2)CCCN3CCN(CC3)c4cc(ccn4)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 96mg/kg (96mg/kg)   United States Patent Document. Vol. #4672063,