分析物名称

Bazedoxifene-d4 5-beta-D-Glucuronide

分子式

C36H38D4N2O9

分子量

650.76

精确质量测定

650.31

SMILES

OC1=CC=C(C2=C(C)C3=CC(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)=CC=C3N2CC5=CC=C(OC([2H])([2H])C([2H])([2H])N6CCCCCC6)C=C5)C=C1

InChI

InChI=1S/C36H42N2O9/c1-22-28-20-27(46-36-33(42)31(40)32(41)34(47-36)35(43)44)14-15-29(28)38(30(22)24-8-10-25(39)11-9-24)21-23-6-12-26(13-7-23)45-19-18-37-16-4-2-3-5-17-37/h6-15,20,31-34,36,39-42H,2-5,16-19,21H2,1H3,(H,43,44)/t31-,32-,33+,34?,36+/m0/s1/i18D2,19D2

IUPAC

(2S,3S,4S,5R,6S)-6-((1-(4-(2-(azepan-1-yl)ethoxy-1,1,2,2-d4)benzyl)-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-yl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

无标签CAS登记号

328933-56-8

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