埃格列净

埃格列净 基本信息
CAS号 1210344-57-2 分子式 C22H25ClO7
分子量 436.88300 精确质量  436.12900
PSA  108.61000 LogP  1.35650

基本信息 展开↓

CAS号:
1210344-57-2
3D弹球模型:
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分子式:
C22H25ClO7
分子量:
436.88300
中文名称:
埃格列净
英文名称:
(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
中文别名:
埃格列净;
(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
英文别名:
(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol;
Ertugliflozin (USAN/INN);
Ertugliflozin;
(1S,2S,3S,4R,5S)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-hydroxymethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
精确分子量/精确质量:
436.12900
极性分子表面积/PSA:
108.61000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: MCIACXAZCBVDEE-CUUWFGFTSA-N

合成路线查看所有的合成路线

  • 1210763-25-9

    {(2S,3S)-3,4,5-tris-benzyloxy-5-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-6,8-dioxa-bicyclo[3.2.1]oct-1-yl}-methanol

  • ~28%

  • 1210344-57-2

    埃格列净

  • +

  • 1210344-58-3

    (1S,2S,3S,4S,5S)-5-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1-hydroxymethyl-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

  • 1233482-00-2

    (1R,2R)-1-((S)-5,5-bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-(2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-1,3-dithian-2-yl)ethane-1,2-diol

  • 1210344-57-2

    埃格列净

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  • 1210763-25-9

    {(2S,3S)-3,4,5-tris-benzyloxy-5-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-6,8-dioxa-bicyclo[3.2.1]oct-1-yl}-methanol

  • 1233482-00-2

    (1R,2R)-1-((S)-5,5-bis(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-(2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-1,3-dithian-2-yl)ethane-1,2-diol

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