分析物名称

Siponimod-D11

分子式

C29 D11 H24 F3 N2 O3

分子量

527.663

精确质量测定

527.329

SMILES

[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(c2ccc(CO\N=C(/C)\c3ccc(CN4CC(C4)C(=O)O)c(CC)c3)cc2C(F)(F)F)C([2H])([2H])C1([2H])[2H]

InChI

InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+/i4D2,5D2,6D2,7D2,8D2,22D

IUPAC

1-[[2-ethyl-4-[(E)-C-methyl-N-[[3-(trifluoromethyl)-4-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)phenyl]methoxy]carbonimidoyl]phenyl]methyl]azetidine-3-carboxylic acid

无标签CAS登记号

1230487-00-9

SIL类型

Deuterium

运输温度

Room Temperature

原产国

CANADA

产品形式

Neat