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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-1-(4-chlorophenyl)-5-ethyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-, trihydrochloride
RN: 104417-00-7
InChIKey: YWGWJMHYKDDIPQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H30-Cl-N5-O.3Cl-H

Molecular Weight

  • 549.3707
 
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Names and Synonyms

  • 3H-Pyrazol-3-one, 1,2-dihydro-1-(4-chlorophenyl)-5-ethyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-, trihydrochloride

Registry Numbers

CAS Registry Number

  • 104417-00-7

System Generated Number

  • 0104417007

Molecular Formulas

Molecular Formula

  • C24-H30-Cl-N5-O.3Cl-H

Molecular Formula Fragments

  • C24-H30-Cl-N5-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C24H30ClN5O.3ClH/c1-3-21-18-24(31)29(30(21)22-7-5-20(25)6-8-22)12-4-11-27-13-15-28(16-14-27)23-17-19(2)9-10-26-23;;;/h5-10,17-18H,3-4,11-16H2,1-2H3;3*1H

InChIKey

YWGWJMHYKDDIPQ-UHFFFAOYSA-N

Smiles

CCc1cc(=O)n(n1c2ccc(cc2)Cl)CCCN3CCN(CC3)c4cc(ccn4)C.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 168mg/kg (168mg/kg)   United States Patent Document. Vol. #4672063,