CAS 57265-65-3|1-[Bis(4-chlorophenyl)methyl]-3-[2,4-dichloro-β-(2,4-dichlorobenzyloxy)phenethyl]imidazolium chloride|1-[bis(4-Chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-(2,4-dichlorobenzyloxy...

基本信息

化学结构

分子式

C₃₁H₂₃Cl₇N₂O

分子量

687.69812

精确质量

683.96300713

电荷

InChI

InChI=1S/C31H23Cl6N2O.ClH/c32-23-6-1-20(2-7-23)31(21-3-8-24(33)9-4-21)39-14-13-38(19-39)17-30(27-12-11-26(35)16-29(27)37)40-18-22-5-10-25(34)15-28(22)36;/h1-16,19,30-31H,17-18H2;1H/q+1;/p-1

InChIKey

YGEIMSMISRCBFF-UHFFFAOYSA-M

Canonic Smiles

Clc1ccc(cc1)C([n+]1ccn(c1)CC(c1ccc(cc1Cl)Cl)OCc1ccc(cc1Cl)Cl)c1ccc(cc1)Cl.[Cl-]

Isomeric Smiles

c1cc(ccc1C(c1ccc(cc1)Cl)[n+]1ccn(c1)CC(c1ccc(cc1Cl)Cl)OCc1ccc(cc1Cl)Cl)Cl.[Cl-]

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

7.1248426

LogD (pH = 7.4)

7.1248426

Log P

7.1248426

摩尔折射率

166.5158

极化性

64.87654

极化表面积

18.04

可自由旋转的化学键

里宾斯基五规则

false

数据来源

产品目录

学术数据

数据来源

名称和标识

别名

1-[Bis(4-chlorophenyl)methyl]-3-[2,4-dichloro-β-(2,4-dichlorobenzyloxy)phenethyl]imidazolium chloride1-[bis(4-Chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-(2,4-dichlorobenzyloxy)ethyl]-1H-imidazolium chloride钙调蛋白抑制剂Calmidazolium chlorideR 24571

IUPAC标准名

3-[bis(4-chlorophenyl)methyl]-1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazol-3-ium chloride

IUPAC传统名

1-[bis(4-chlorophenyl)methyl]-3-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazol-1-ium chloride

名称和标识

数据登录号

Beilstein号

PubChem SID

MDL号

CAS号

PubChem CID

数据登录号

化合物性质

安全信息

德国WGK号

个人保护装置

Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

保存温度

2-8°C

MSDS下载

下载链接

理化性质

white solid

产品相关信息

≥99.0% (HPLC)

C31H23Cl7N2O

化合物性质

分子相关蛋白质

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分子图谱

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描述信息

Sigma Aldrich

21265

Biochem/physiol Actions
Inhibitor of calmodulin-regulated enzymes. It is also believed to directly block calcium channels in smooth muscle cells.1
Other Notes
Strong inhibitor of brain Ca2+ calmodulin- dependent phosphodiesterase and of CDR-dependent Ca2+ ATPase2,3

C3930

Biochem/physiol Actions
Inhibitor of calmodulin-regulated enzymes. It is also believed to directly block calcium channels in smooth muscle cells.1
Caution
Binds to glass surfaces in aqueous solutions.
Reconstitution
Stock solutions may be prepared in DMSO at 5 mM then diluted to 0.01 mM with buffer. DMSO solutions may be stored for several weeks.

描述信息

参考文献

PubChem文献

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参考文献

生物活性

PubChem BioAssay

生物活性

导航

基本信息

计算属性