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Substance Name: Quinoline, 2-(4-(3-chloropropyl)-1-piperazinyl)-4-phenyl-, monohydrochloride, monohydrate
RN: 97634-04-3
InChIKey: ATMQYNDADRSRQU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H24-Cl-N3.Cl-H.H2-O

Molecular Weight

  • 420.3813
 
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Names and Synonyms

Synonyms

  • 2-(4-(3-Chloropropyl)-1-piperazinyl)-4-phenylquinoline hydrochloride hydrate
  • 4-(3-Chloropropyl)-1-(4-phenyl-2-quinolyl)piperazine hydrochloride hydrate

Systematic Name

  • Quinoline, 2-(4-(3-chloropropyl)-1-piperazinyl)-4-phenyl-, monohydrochloride, monohydrate

Registry Numbers

CAS Registry Number

  • 97634-04-3

System Generated Number

  • 0097634043

Molecular Formulas

Molecular Formula

  • C22-H24-Cl-N3.Cl-H.H2-O

Molecular Formula Fragments

  • C22-H24-Cl-N3
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C22H24ClN3.ClH.H2O/c23-11-6-12-25-13-15-26(16-14-25)22-17-20(18-7-2-1-3-8-18)19-9-4-5-10-21(19)24-22;;/h1-5,7-10,17H,6,11-16H2;1H;1H2

InChIKey

ATMQYNDADRSRQU-UHFFFAOYSA-N

Smiles

n1c2ccccc2c(cc1N1CCN(CC1)CCCCl)c1ccccc1.Cl.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 385mg/kg (385mg/kg)   Journal of Medicinal Chemistry. Vol. 28, Pg. 1394, 1985.