CAS 39133-31-8|2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate|2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate|trimebutine|Trimebutine|Trimebutine|Cerekinon|Spabucol|2-(dimethylami...

基本信息

化学结构

分子式

C₂₂H₂₉NO₅

分子量

387.46936

精确质量

387.20457303

电荷

InChI

InChI=1S/C22H29NO5/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5/h8-14H,7,15H2,1-6H3

InChIKey

LORDFXWUHHSAQU-UHFFFAOYSA-N

Canonic Smiles

CCC(c1ccccc1)(N(C)C)COC(=O)c1cc(OC)c(c(c1)OC)OC

Isomeric Smiles

c1(c(cc(C(=O)OCC(N(C)C)(c2ccccc2)CC)cc1OC)OC)OC

计算属性

JChem

质子受体

质子供体

LogD (pH = 5.5)

1.0457101

LogD (pH = 7.4)

2.733307

Log P

4.1096926

摩尔折射率

108.937

极化性

42.628212

极化表面积

57.23

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

IUPAC标准名

2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate

别名

2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoateTrimebutineTrimebutineCerekinonSpabucol3,4,5-Trimethoxybenzoic acid 2-(dimethylamino)-2-phenylbutyl esterMebutin3,4,5-三甲氧基苯甲酸 2-(二甲氨基)-2-苯基丁酯Digerent曲美布汀

IUPAC传统名

trimebutine 2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate

名称和标识

数据登录号

CAS号

MDL号

EC号

PubChem SID

PubChem CID

数据登录号

化合物性质

安全信息

保存温度

2-8°C

MSDS下载

下载链接

德国WGK号

个人保护装置

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

产品相关信息

analytical standard

C22H29NO5

Antispasmodic agent

Free Base

药理学性质

The actions of trimebutine on the gastrointestinal tract are mediated via

(ii) release of gastrointestinal peptides such as motilin and modulation of the release of other peptides, including vasoactive intestinal peptide, gastrin and glucagon

(i) an agonist effect on peripheral mu, kappa and delta opiate receptors and

Opioid Receptor

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子图谱

暂无数据

点击上传数据

描述信息

暂无数据

点击上传数据

参考文献

PubChem文献

数据源提供

• Fraitag, B. et al., Gastroenterol. Clin. Biol., 1992, 16, 413, (rev)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 6665

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, TKU650; TKU675

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 1423

• U.K. Pat., 1972, 1 342 547; CA, 78, 58079j, (synth)

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC标准名

2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate

别名

IUPAC传统名

trimebutine 2-(dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate

数据登录号

CAS号

MDL号

EC号

PubChem SID

PubChem CID

参考文献

PubChem文献

数据源提供

• Fraitag, B. et al., Gastroenterol. Clin. Biol., 1992, 16, 413, (rev)

• Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 6665

• Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, TKU650; TKU675

• Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 1423

• U.K. Pat., 1972, 1 342 547; CA, 78, 58079j, (synth)

生物活性

PubChem BioAssay

化合物性质

安全信息

保存温度

2-8°C

MSDS下载

下载链接

德国WGK号

个人保护装置

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

产品相关信息

analytical standard

C22H29NO5

Antispasmodic agent

Free Base

药理学性质

The actions of trimebutine on the gastrointestinal tract are mediated via

(ii) release of gastrointestinal peptides such as motilin and modulation of the release of other peptides, including vasoactive intestinal peptide, gastrin and glucagon

(i) an agonist effect on peripheral mu, kappa and delta opiate receptors and

Opioid Receptor

化合物信息

ID:124981