Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1-{[2'-(1-trityl-1H-tetrazol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carboxylate（CAS号：144690-33-5）

4-(1-羟基-1-甲基乙基)-2-丙基-1-[4-[2-(三苯甲基四氮唑-5-基)苯基]苯基]甲基咪唑-5-羧酸乙酯

基本信息

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CAS号

144690-33-5

分子式

C45H44N6O3

分子量

716.89 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

实验室化学品科研化学品生化试剂

基本物理性质

熔点

161 ºC

密度

1.18±0.1 g/cm3 (20 ºC 760 Torr),

溶解度

Insuluble (4.5E-6 g/L) (25 ºC),

SMILES

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CCCc1nc(c(n1Cc2ccc(cc2)c3ccccc3c4nnnn4C(c5ccccc5)(c6ccccc6)c7ccccc7)C(=O)OCC)C(C)(C)O

InChI

InChI=1S/C45H44N6O3/c1-5-18-39-46-41(44(3,4)53)40(43(52)54-6-2)50(39)31-32-27-29-33(30-28-32)37-25-16-17-26-38(37)42-47-48-49-51(42)45(34-19-10-7-11-20-34,35-21-12-8-13-22-35)36-23-14-9-15-24-36/h7-17,19-30,53H,5-6,18,31H2,1-4H3

InChIKey

TZQDBKJBKJIHPR-UHFFFAOYSA-N

LogP

8.448700000000004

拓扑极性表面积

107.95000000000002 Å²

氢键供体/受体

1 / 9

复杂度

1110

安全信息

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危险说明

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

Diethyl 2-propylImidazoledicarbonate
Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-5-carboxylate
Ethyl 4-(2-hydroxy-2-propanyl)-2-propyl-1-{[2'-(1-trityl-1H-tetra zol-5-yl)-4-biphenylyl]methyl}-1H-imidazole-5-carboxylate
Trityl olmesartan ethyl ester
4-(pyrrol-1-yl)benzoic acid ethyl ester
CTK1G8761
ethyl 4-(1-hydroxy-1-methylethyl)-2-propyl-1-[[2'-(N-triphenylmethyl-1H-tetrazole-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylate
ethyl 4-(pyrrol-1-yl)benzoate
ethyl 4-(pyrrol-1-yl)-benzoate
ethyl-4-(1-hydroxymethylethyl)-2-propyl-1-{4-(2-trityltetrazol-5-yl)phenyl}phenylmethylimidazole-5-carboxylate
Maybridge1_007979
ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H- tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-5- carboxylate
4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid ethyl ester
4-(1-Hydroxy-1-methylethyl)-2-propyl-1-[[2'-[(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-1H-imidazole-5-carboxylic acid ethyl ester
TZQDBKJBKJIHPR-UHFFFAOYSA-N
BCP12280
RP17799
400H213
ethyl 5-(1-hydroxy-1-methyl-ethyl)-2-pr
Ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]imidazo
Tritylolmesartan Ethyl Ester
ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-imidazole-5-carboxylate