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Substance Name: Benzoic acid, 2-(2,3-dihydro-5-methyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-3-oxo-1H-pyrazol-1-yl)-, methyl ester, trihydrochloride
RN: 104416-89-9
InChIKey: XHPGBIUPELMGDY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H31-N5-O3.3Cl-H

Molecular Weight

  • 558.9346
 
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Names and Synonyms

  • Benzoic acid, 2-(2,3-dihydro-5-methyl-2-(3-(4-(4-methyl-2-pyridinyl)-1-piperazinyl)propyl)-3-oxo-1H-pyrazol-1-yl)-, methyl ester, trihydrochloride

Registry Numbers

CAS Registry Number

  • 104416-89-9

System Generated Number

  • 0104416899

Molecular Formulas

Molecular Formula

  • C25-H31-N5-O3.3Cl-H

Molecular Formula Fragments

  • C25-H31-N5-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C25H31N5O3.3ClH/c1-19-9-10-26-23(17-19)28-15-13-27(14-16-28)11-6-12-29-24(31)18-20(2)30(29)22-8-5-4-7-21(22)25(32)33-3;;;/h4-5,7-10,17-18H,6,11-16H2,1-3H3;3*1H

InChIKey

XHPGBIUPELMGDY-UHFFFAOYSA-N

Smiles

Cc1ccnc(c1)N2CCN(CC2)CCCn3c(=O)cc(n3c4ccccc4C(=O)OC)C.Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 342mg/kg (342mg/kg)   United States Patent Document. Vol. #4672063,