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Substance Name: Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 2-(4-(3-chloro-2-methylphenyl)-1-piperazinyl)ethyl ester, dihydrochloride
RN: 55300-39-5
InChIKey: JRQFVQYOOPUVGQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H28-Cl2-N4-O2.2Cl-H

Molecular Weight

  • 608.394
 
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Names and Synonyms

  • Benzoic acid, 2-((7-chloro-4-quinolinyl)amino)-, 2-(4-(3-chloro-2-methylphenyl)-1-piperazinyl)ethyl ester, dihydrochloride

Registry Numbers

CAS Registry Number

  • 55300-39-5

System Generated Number

  • 0055300395

Molecular Formulas

Molecular Formula

  • C29-H28-Cl2-N4-O2.2Cl-H

Molecular Formula Fragments

  • C29-H28-Cl2-N4-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C29H28Cl2N4O2.2ClH/c1-20-24(31)6-4-8-28(20)35-15-13-34(14-16-35)17-18-37-29(36)23-5-2-3-7-25(23)33-26-11-12-32-27-19-21(30)9-10-22(26)27;;/h2-12,19H,13-18H2,1H3,(H,32,33);2*1H

InChIKey

JRQFVQYOOPUVGQ-UHFFFAOYSA-N

Smiles

Cc1c(cccc1Cl)N2CCN(CC2)CCOC(=O)c3ccccc3Nc4ccnc5c4ccc(c5)Cl.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 4gm/kg (4000mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 554, 1979.