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Substance Name: 3-Quinolinecarboxylic acid, 4-((2-((dipropylamino)-1-methyl-2-oxoethyl)amino)-7-(trifluoromethyl)-, ethyl ester, (+-)-
RN: 127446-96-2
InChIKey: RRILIJHOFZMDMY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-F3-N3-O3

Molecular Weight

  • 439.4752
 
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Names and Synonyms

Synonyms

  • Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate
  • SR 26241

Systematic Name

  • 3-Quinolinecarboxylic acid, 4-((2-((dipropylamino)-1-methyl-2-oxoethyl)amino)-7-(trifluoromethyl)-, ethyl ester, (+-)-

Registry Numbers

CAS Registry Number

  • 127446-96-2

System Generated Number

  • 0127446962

Structure Descriptors

InChI

1S/C22H28F3N3O3/c1-5-10-28(11-6-2)20(29)14(4)27-19-16-9-8-15(22(23,24)25)12-18(16)26-13-17(19)21(30)31-7-3/h8-9,12-14H,5-7,10-11H2,1-4H3,(H,26,27)

InChIKey

RRILIJHOFZMDMY-UHFFFAOYSA-N

Smiles

CCCN(CCC)C(=O)C(C)Nc1c2ccc(cc2ncc1C(=O)OCC)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1100mg/kg (1100mg/kg)   United States Patent Document. Vol. #5026711,