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Substance Name: Piperazine, 1-(2,6-dimethoxy-4-pyrimidinyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-
RN: 72141-49-2
InChIKey: JSACXAZQIWVVMU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H25-F3-N6-O3

Molecular Weight

  • 538.5275
 
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Names and Synonyms

Synonym

  • BRN 6256442

Systematic Name

  • Piperazine, 1-(2,6-dimethoxy-4-pyrimidinyl)-4-(4-((7-(trifluoromethyl)-4-quinolinyl)amino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 72141-49-2

System Generated Number

  • 0072141492

Structure Descriptors

InChI

1S/C27H25F3N6O3/c1-38-24-16-23(33-26(34-24)39-2)35-11-13-36(14-12-35)25(37)17-3-6-19(7-4-17)32-21-9-10-31-22-15-18(27(28,29)30)5-8-20(21)22/h3-10,15-16H,11-14H2,1-2H3,(H,31,32)

InChIKey

JSACXAZQIWVVMU-UHFFFAOYSA-N

Smiles

COc1cc(nc(n1)OC)N2CCN(CC2)C(=O)c3ccc(cc3)Nc4ccnc5c4ccc(c5)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3160mg/kg (3160mg/kg)   Journal of Medicinal Chemistry. Vol. 29, Pg. 133, 1986.