分析物名称

1-(4-Chlorophenyl)-5-(6-((4-((4-chlorophenyl)amino)-6-((1S,2R,3R,4R)-1,2,3,4,5-pentahydroxypentyl)-1,3,5-triazin-2-yl)amino)hexyl)biguanide-d8

分子式

C28 D8 H30 Cl2 N10 O5

分子量

673.621

精确质量测定

672.291

SMILES

[2H]c1c([2H])c(NC(=N)NC(=N)NCCCCCCNc2nc(Nc3c([2H])c([2H])c(Cl)c([2H])c3[2H])nc(n2)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)c([2H])c([2H])c1Cl

InChI

InChI=1S/C28H38Cl2N10O5/c29-16-5-9-18(10-6-16)35-26(32)39-25(31)33-13-3-1-2-4-14-34-27-37-24(23(45)22(44)21(43)20(42)15-41)38-28(40-27)36-19-11-7-17(30)8-12-19/h5-12,20-23,41-45H,1-4,13-15H2,(H5,31,32,33,35,39)(H2,34,36,37,38,40)/t20-,21-,22+,23-/m1/s1/i5D,6D,7D,8D,9D,10D,11D,12D

IUPAC

1-[6-[[4-(4-chloro-2,3,5,6-tetradeuterioanilino)-6-[(1S,2R,3R,4R)-1,2,3,4,5-pentahydroxypentyl]-1,3,5-triazin-2-yl]amino]hexyl]-3-[N-(4-chloro-2,3,5,6-tetradeuteriophenyl)carbamimidoyl]guanidine

SIL类型

Deuterium

运输温度

Room Temperature

原产国

CANADA

产品类型

Stable Isotope Labelled

产品形式

Neat