R 7050
[CAS# 303997-35-5]

Identification

• Name: R 7050
• Synonyms: R-7050; R 7050; R7050; TNF-α Antagonist III; 8-chloro-4-phenylsulfanyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline; 12E-954
• Molecular Formula: C₁₆H₈ClF₃N₄S
• Molecular Weight: 380.77
• CAS Registry Number: 303997-35-5
• SMILES: C1=CC=C(C=C1)SC2=NC3=C(C=C(C=C3)Cl)N4C2=NN=C4C(F)(F)F
• InChI: 1S/C16H8ClF3N4S/c17-9-6-7-11-12(8-9)24-13(22-23-15(24)16(18,19)20)14(21-11)25-10-4-2-1-3-5-10/h1-8H
• InChIKey: SUUMKHOVGVYGOP-UHFFFAOYSA-N

Properties

• solubility: Soluble to 20 mM in DMSO