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Substance Name: Benzoic acid, 2-((8-(trifluoromethyl)-4-quinolinyl)amino)-, 2-(4-(3-((trifluoromethyl)thio)phenyl)-1-piperazinyl)ethyl ester
RN: 55300-50-0
InChIKey: LBPNOXZKBSBBPT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C30-H26-F6-N4-O2-S

Molecular Weight

  • 620.6154
 
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Names and Synonyms

Synonym

  • BRN 0601532

Systematic Name

  • Benzoic acid, 2-((8-(trifluoromethyl)-4-quinolinyl)amino)-, 2-(4-(3-((trifluoromethyl)thio)phenyl)-1-piperazinyl)ethyl ester

Registry Numbers

CAS Registry Number

  • 55300-50-0

System Generated Number

  • 0055300500

Structure Descriptors

InChI

1S/C30H26F6N4O2S/c31-29(32,33)24-9-4-8-22-26(11-12-37-27(22)24)38-25-10-2-1-7-23(25)28(41)42-18-17-39-13-15-40(16-14-39)20-5-3-6-21(19-20)43-30(34,35)36/h1-12,19H,13-18H2,(H,37,38)

InChIKey

LBPNOXZKBSBBPT-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)OCCN2CCN(CC2)c3cccc(c3)SC(F)(F)F)Nc4ccnc5c4cccc5C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 3gm/kg (3000mg/kg)   Journal of Medicinal Chemistry. Vol. 22, Pg. 554, 1979.