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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-5-hexyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-1-phenyl-, trihydrochloride
RN: 104417-05-2
InChIKey: APZSBWMPYYEQEM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H39-N5-O.3Cl-H

Molecular Weight

  • 571.0328
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 104417-05-2

System Generated Number

  • 0104417052

Molecular Formulas

Molecular Formula

  • C28-H39-N5-O.3Cl-H

Molecular Formula Fragments

  • C28-H39-N5-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H39N5O.3ClH/c1-3-4-5-7-13-26-23-28(34)32(33(26)25-11-8-6-9-12-25)17-10-16-30-18-20-31(21-19-30)27-22-24(2)14-15-29-27;;;/h6,8-9,11-12,14-15,22-23H,3-5,7,10,13,16-21H2,1-2H3;3*1H

InChIKey

APZSBWMPYYEQEM-UHFFFAOYSA-N

Smiles

CCCCCCc1cc(=O)n(n1c2ccccc2)CCCN3CCN(CC3)c4cc(ccn4)C.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 72500ug/kg (72.5mg/kg)   United States Patent Document. Vol. #4672063,