(4S,5S)-3,3-dibutyl-5-[3-[2-[2-[2-[5-[2-[2-[2-[3-[(4S,5S)-3,3-dibutyl-7-(dimethylamino)-1,1,4-trihydroxy-4,5-dihydro-2H-1lambda4-benzothiepin-5-yl]phenoxy]ethoxy]ethoxy]ethylamino]pentylamino]ethoxy]ethoxy]ethoxy]phenyl]-7-(dimethylamino)-1,1-dihydroxy-4,5-dihydro-2H-1lambda4-benzothiepin-4-ol;(4S,5S)-3,3-dibutyl-8-[2-[2-[2-[5-[2-[2-[2-[[(4S,5S)-3,3-dibutyl-7-(dimethylamino)-1,1,4-trihydroxy-5-phenyl-4,5-dihydro-2H-1lambda4-benzothiepin-8-yl]oxy]ethoxy]ethoxy]ethylamino]pentylamino]ethoxy]ethoxy]ethoxy]-7-(dimethylamino)-1,1-dihydroxy-5-phenyl-4,5-dihydro-2H-1lambda4-benzothiepin-4-ol

分子结构分类

有机化合物 - 有机杂环化合物 - 苯并硫平类

中文名称

——

中文别名

——

英文名称

(4S,5S)-3,3-dibutyl-5-[3-[2-[2-[2-[5-[2-[2-[2-[3-[(4S,5S)-3,3-dibutyl-7-(dimethylamino)-1,1,4-trihydroxy-4,5-dihydro-2H-1lambda4-benzothiepin-5-yl]phenoxy]ethoxy]ethoxy]ethylamino]pentylamino]ethoxy]ethoxy]ethoxy]phenyl]-7-(dimethylamino)-1,1-dihydroxy-4,5-dihydro-2H-1lambda4-benzothiepin-4-ol;(4S,5S)-3,3-dibutyl-8-[2-[2-[2-[5-[2-[2-[2-[[(4S,5S)-3,3-dibutyl-7-(dimethylamino)-1,1,4-trihydroxy-5-phenyl-4,5-dihydro-2H-1lambda4-benzothiepin-8-yl]oxy]ethoxy]ethoxy]ethylamino]pentylamino]ethoxy]ethoxy]ethoxy]-7-(dimethylamino)-1,1-dihydroxy-5-phenyl-4,5-dihydro-2H-1lambda4-benzothiepin-4-ol

英文别名

(4S,5S)-3,3-dibutyl-5-[3-[2-[2-[2-[5-[2-[2-[2-[3-[(4S,5S)-3,3-dibutyl-7-(dimethylamino)-1,1,4-trihydroxy-4,5-dihydro-2H-1λ4-benzothiepin-5-yl]phenoxy]ethoxy]ethoxy]ethylamino]pentylamino]ethoxy]ethoxy]ethoxy]phenyl]-7-(dimethylamino)-1,1-dihydroxy-4,5-dihydro-2H-1λ4-benzothiepin-4-ol;(4S,5S)-3,3-dibutyl-8-[2-[2-[2-[5-[2-[2-[2-[[(4S,5S)-3,3-dibutyl-7-(dimethylamino)-1,1,4-trihydroxy-5-phenyl-4,5-dihydro-2H-1λ4-benzothiepin-8-yl]oxy]ethoxy]ethoxy]ethylamino]pentylamino]ethoxy]ethoxy]ethoxy]-7-(dimethylamino)-1,1-dihydroxy-5-phenyl-4,5-dihydro-2H-1λ4-benzothiepin-4-ol

(4S,5S)-3,3-dibutyl-5-[3-[2-[2-[2-[5-[2-[2-[2-[3-[(4S,5S)-3,3-dibutyl-7-(dimethylamino)-1,1,4-trihydroxy-4,5-dihydro-2H-1lambda4-benzothiepin-5-yl]phenoxy]ethoxy]ethoxy]ethylamino]pentylamino]ethoxy]ethoxy]ethoxy]phenyl]-7-(dimethylamino)-1,1-dihydroxy-4,5-dihydro-2H-1lambda4-benzothiepin-4-ol;(4S,5S)-3,3-dibutyl-8-[2-[2-[2-[5-[2-[2-[2-[[(4S,5S)-3,3-dibutyl-7-(dimethylamino)-1,1,4-trihydroxy-5-phenyl-4,5-dihydro-2H-1lambda4-benzothiepin-8-yl]oxy]ethoxy]ethoxy]ethylamino]pentylamino]ethoxy]ethoxy]ethoxy]-7-(dimethylamino)-1,1-dihydroxy-5-phenyl-4,5-dihydro-2H-1lambda4-benzothiepin-4-ol化学式

CAS

——

化学式

C138H224N8O24S4

mdl

——

分子量

2507.6

InChiKey

UVMPRXITASGNPS-PMXAMDHDSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

27.32
重原子数：

174
可旋转键数：

84
环数：

12.0
sp3杂化的碳原子比例：

0.65
拓扑面积：

419
氢给体数：

16
氢受体数：

36

同类化合物

马来酸甲硫替平锌,二(N,N-二异壬基氨基甲二硫酸根-S,S')- 达莫替平西他替平莫那匹尔马来酸盐苯并[b][1]苯并硫杂卓艾洛利康胰岛素,3-(N-苯乙酰)- 硫平酸盐酸度硫平杂质盐酸双舒来平甲替平溴化替悼铵氯马昔巴特氯氟酰胺氯替平曲帕替平扎托布洛芬度硫平砜度琉平度琉平巴洛沙韦酯巴洛沙韦哌嗪,1-[10,11-二氢-8-(甲硫基)二苯并[b,f]噻庚英-10-基]-4-甲基-,4-氧化吡啶并[3,2-e]-1,2,4-三嗪-6-羧酸,1,2-二氢-3-甲基-,甲基酯去甲度硫平S-氧化物佐替平二苯并[b,f]噻庚英-2-乙酸,10,11-二氢-a-甲基-10-羰基-,(aS)- 二苯并[b,f]噻吩-3-羧酸二苯并[B,F]硫杂卓-10(11H)-酮乙酸,1-苯并噻吩-5-醇丙基,2-(乙酰氧基)-(9CI) 丁-2-烯二酸;2-(6,11-二氢苯并[c][1]苯并硫杂卓-11-基巯基)-1-(4-甲基哌嗪-1-基)乙酮丁-2-烯二酸;10-(3-二甲基氨基丙氧基)-5,6-二氢苯并[b][1]苯并硫杂卓-6-醇 N-(8-甲基磺酰基-5,6-二氢苯并[b][1]苯并硫杂卓-6-基)乙烷-1,2-二胺;2,4,6-三硝基苯酚 N-(10,11-二氢-8-(甲基磺酰基)二苯并(b,f)硫杂卓-10-基)-1,2-乙二胺S-氧化物与2,4,6-三硝基苯酚的化合物 N,N-二甲基-3-(2-甲基二苯并[b,e]硫杂卓-11(6H)-亚基)-1-丙胺 8-甲氧基-3,4-二氢苯并[B]硫杂七环-5(2H)-酮 8-甲氧基-10-(1-甲基-4-哌啶基)-10,11-二氢二苯并(b,f)硫杂卓马来酸氢盐 8-氯-3-甲氧基-10-哌嗪基-10,11-二氢二苯并(b,f)硫杂卓马来酸盐 8-氯-10-[(叔-丁基氨基)羰基氧基]-10,11-二氢二苯并[b,f]硫杂卓 8-氯-10-[(乙氧羰基)氨基]-10,11-二氢二苯并[b,f]硫杂卓 7-溴-3,4-二氢-2H-1-苯并硫杂卓-5-酮 7-氯-4-[(3,4-二氯苯基)氨基甲酰]-1,1-二氧代-2,3-二氢苯并[b]硫杂卓-5-醇钠水合物 6-[2-(甲基氨基)乙氧基]-二苯并[b,f]硫杂卓-10(11H)-酮盐酸盐(1:1) 6-(2-二甲基氨基乙氧基)-10,11-二氢二苯并(b,f)硫杂卓-10-醇马来酸氢酯 6,11-二氢二苯并[b,e]硫杂卓-11-酮 6,11-二氢二苯并[b,e]噻频-11-胺 6,11-二氢-N,N-二甲基二苯并[b,e]硫杂卓-11-(1-丙胺) 6,11-二氢-N,N-二甲基二苯并(b,e)硫杂卓-11-丙胺5,5-二氧化物富马酸盐

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