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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-1-(4-methoxyphenyl)-5-methyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-, hydrochloride
RN: 104417-37-0
InChIKey: AEKOKAUBJSEYJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N5-O2.x-Cl-H

Molecular Weight

  • 458.0028
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 104417-37-0

System Generated Number

  • 0104417370

Molecular Formulas

Molecular Formula

  • C24-H31-N5-O2.x-Cl-H

Molecular Formula Fragments

  • C24-H31-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H31N5O2.ClH/c1-19-9-10-25-23(17-19)27-15-13-26(14-16-27)11-4-12-28-24(30)18-20(2)29(28)21-5-7-22(31-3)8-6-21;/h5-10,17-18H,4,11-16H2,1-3H3;1H

InChIKey

AEKOKAUBJSEYJO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 190mg/kg (190mg/kg)   United States Patent Document. Vol. #4672063,