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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-1-(4-acetylphenyl)-5-methyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-, trihydrochloride
RN: 104417-31-4
InChIKey: NHESCGWKSWMTTG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N5-O2.3Cl-H

Molecular Weight

  • 542.9356
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 104417-31-4

System Generated Number

  • 0104417314

Molecular Formulas

Molecular Formula

  • C25-H31-N5-O2.3Cl-H

Molecular Formula Fragments

  • C25-H31-N5-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31N5O2.3ClH/c1-19-9-10-26-24(17-19)28-15-13-27(14-16-28)11-4-12-29-25(32)18-20(2)30(29)23-7-5-22(6-8-23)21(3)31;;;/h5-10,17-18H,4,11-16H2,1-3H3;3*1H

InChIKey

NHESCGWKSWMTTG-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg)   United States Patent Document. Vol. #4672063,