Siponimod impurity 30^6

分析物名称

Siponimod impurity 30^6

分子式

C58H70F6N4O6

分子量

1033.21

精确质量测定

1032.52

SMILES

C/C(C1=CC(CC)=C(CNCC(C(O)=O)COC(C2CN(CC3=CC=C(/C(C)=N/OCC4=CC(C(F)(F)F)=C(C5CCCCC5)C=C4)C=C3CC)C2)=O)C=C1)=N\OCC(C=C6C(F)(F)F)=CC=C6C7CCCCC7

InChI

InChI=1S/C58H70F6N4O6/c1-5-41-27-45(37(3)66-73-34-39-17-23-51(43-13-9-7-10-14-43)53(25-39)57(59,60)61)19-21-47(41)29-65-30-49(55(69)70)36-72-56(71)50-32-68(33-50)31-48-22-20-46(28-42(48)6-2)38(4)67-74-35-40-18-24-52(44-15-11-8-12-16-44)54(26-40)58(62,63)64/h17-28,43-44,49-50,65H,5-16,29-36H2,1-4H3,(H,69,70)/b66-37+,67-38+

IUPAC

2-[[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methyl-carbonimidoyl]-2-ethyl-phenyl]methylamino]methyl]-3-[1-[[4-[(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-C-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carbonyl]oxy-propanoic acid

原产国

CANADA

产品形式

Neat