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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-1-(4-chlorophenyl)-5-methyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-, trihydrochloride
RN: 104416-91-3
InChIKey: IXJYVTXXZVQVJO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-Cl-N5-O.3Cl-H

Molecular Weight

  • 535.3439
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 104416-91-3

System Generated Number

  • 0104416913

Molecular Formulas

Molecular Formula

  • C23-H28-Cl-N5-O.3Cl-H

Molecular Formula Fragments

  • C23-H28-Cl-N5-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H28ClN5O.3ClH/c1-18-8-9-25-22(16-18)27-14-12-26(13-15-27)10-3-11-28-23(30)17-19(2)29(28)21-6-4-20(24)5-7-21;;;/h4-9,16-17H,3,10-15H2,1-2H3;3*1H

InChIKey

IXJYVTXXZVQVJO-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 205mg/kg (205mg/kg)   United States Patent Document. Vol. #4672063,