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Substance Name: s-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(4-phenyl-2-quinolyl)-1-piperazinyl)propyl)-, monohydrochloride, monohydrate
RN: 97634-06-5
InChIKey: LRRJNLLSZZBSCV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H28-N6-O.Cl-H.H2-O

Molecular Weight

  • 519.0459
 
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Names and Synonyms

  • s-Triazolo(4,3-a)pyridin-3(2H)-one, 2-(3-(4-(4-phenyl-2-quinolyl)-1-piperazinyl)propyl)-, monohydrochloride, monohydrate

Registry Numbers

CAS Registry Number

  • 97634-06-5

System Generated Number

  • 0097634065

Molecular Formulas

Molecular Formula

  • C28-H28-N6-O.Cl-H.H2-O

Molecular Formula Fragments

  • C28-H28-N6-O
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C28H28N6O.ClH.H2O/c35-28-33-15-7-6-13-26(33)30-34(28)16-8-14-31-17-19-32(20-18-31)27-21-24(22-9-2-1-3-10-22)23-11-4-5-12-25(23)29-27;;/h1-7,9-13,15,21H,8,14,16-20H2;1H;1H2

InChIKey

LRRJNLLSZZBSCV-UHFFFAOYSA-N

Smiles

n12c(=O)n(nc1cccc2)CCCN1CCN(c2nc3c(c(c2)c2ccccc2)cccc3)CC1.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 390mg/kg (390mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1394, 1985.