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Substance Name: 3H-Pyrazol-3-one, 1,2-dihydro-1-(2-methoxyphenyl)-5-methyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-, trihydrochloride
RN: 104416-96-8
InChIKey: MHTPDTFTBKHQEE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H31-N5-O2.3Cl-H

Molecular Weight

  • 530.9246
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 104416-96-8

System Generated Number

  • 0104416968

Molecular Formulas

Molecular Formula

  • C24-H31-N5-O2.3Cl-H

Molecular Formula Fragments

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

Structure Descriptors

InChI

1S/C24H31N5O2.3ClH/c1-19-9-10-25-23(17-19)27-15-13-26(14-16-27)11-6-12-28-24(30)18-20(2)29(28)21-7-4-5-8-22(21)31-3;;;/h4-5,7-10,17-18H,6,11-16H2,1-3H3;3*1H

InChIKey

MHTPDTFTBKHQEE-UHFFFAOYSA-N

Smiles

Cc1ccnc(c1)N2CCN(CC2)CCCn3c(=O)cc(n3c4ccccc4OC)C.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 252mg/kg (252mg/kg)   United States Patent Document. Vol. #4672063,