CAS 126-27-2|OXETHAZAINE|2-Hydroxyethyliminobis[N-(α,α-dimethylphenethyl)-N-methyl-acetamide]|Oxetacaine|2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino...

基本信息

化学结构

分子式

C₂₈H₄₁N₃O₃

分子量

467.64344

精确质量

467.31479219

电荷

InChI

InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3

InChIKey

FTLDJPRFCGDUFH-UHFFFAOYSA-N

Canonic Smiles

OCCN(CC(=O)N(C(Cc1ccccc1)(C)C)C)CC(=O)N(C(Cc1ccccc1)(C)C)C

Isomeric Smiles

CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1

计算属性

JChem

Acid pKa

15.591475

质子受体

质子供体

LogD (pH = 5.5)

2.6969376

LogD (pH = 7.4)

3.1472213

Log P

3.1574252

摩尔折射率

138.53

极化性

53.959484

极化表面积

64.09

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

别名

OXETHAZAINE2-Hydroxyethyliminobis[N-(α,α-dimethylphenethyl)-N-methyl-acetamide]OxetacaineOxethazaine2-羟乙基亚氨基双(N-[α,α-二甲基苯乙基]-N-甲基乙酰胺)奥昔卡因阿塞赛因OxethacaineFH 0992-Di(N-methyl-N-phenyl-tert-butyl-carbamoylmethyl)aminoethanolOxaineStorocaineTopicainStorocain2,2'-[(2-Hydroxyethyl)imino]bis[N-(α,α-dimethylphenethyl)-N-methylacetamide]Wy 806BetalgilMucoxin

IUPAC标准名

2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide N-(2-benzylpropan-2-yl)-2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methylacetamide

IUPAC传统名

mucaine N-(2-benzylpropan-2-yl)-2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methylacetamide

名称和标识

数据登录号

EC号

CAS号

PubChem SID

MDL号

PubChem CID

数据登录号

化合物性质

产品相关信息

质检报告

下载链接

级别

analytical standard, for drug analysis

成盐信息

Free Base

理化性质

溶解度

Chloroform

Methanol

外观

White Solid

熔点

100-101°C

药理学性质

作用靶点

Others

化合物性质

分子相关蛋白质

暂无数据

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分子图谱

暂无数据

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描述信息

MP Biomedicals

02156016

(2-Hydroxyethyliminobis[N-(α,α-dimethylphenethyl)-N-methyl-
acetamide]; Oxetacaine)

Sigma Aldrich

O5380

Application
已与抗酸剂结合使用治疗溃疡痛
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. O5380.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

TRC

O846600

A potent local anesthetic that is active even in acidic conditions. It is used (usually in combination with an antacid) for the relief of pain associated with peptic ulcer disease or esophagitis.

描述信息

参考文献

PubChem文献

数据源提供

• Barbezat, G.O. et al.: Scand. J. Gastroenterol., 13, 321 (1965)

• Detrain, M. et al.: Acta. Gastro-Enterol. Belg., 28, 360 (1965)

• Masuda, Y. et al.: Biochem. Pharmacol., 64, 677 (1965)

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

别名

IUPAC标准名

IUPAC传统名

mucaine N-(2-benzylpropan-2-yl)-2-[(2-hydroxyethyl)({[methyl(2-methyl-1-phenylpropan-2-yl)carbamoyl]methyl})amino]-N-methylacetamide

数据登录号

EC号

CAS号

PubChem SID

MDL号

PubChem CID

化合物性质

产品相关信息

质检报告

下载链接

级别

analytical standard, for drug analysis

成盐信息

Free Base

理化性质

溶解度

Chloroform

Methanol

外观

White Solid

熔点

100-101°C

药理学性质

作用靶点

Others

描述信息

MP Biomedicals

02156016

(2-Hydroxyethyliminobis[N-(α,α-dimethylphenethyl)-N-methyl-
acetamide]; Oxetacaine)

Sigma Aldrich

O5380

TRC

O846600

A potent local anesthetic that is active even in acidic conditions. It is used (usually in combination with an antacid) for the relief of pain associated with peptic ulcer disease or esophagitis.

参考文献

PubChem文献

数据源提供

• Barbezat, G.O. et al.: Scand. J. Gastroenterol., 13, 321 (1965)

• Detrain, M. et al.: Acta. Gastro-Enterol. Belg., 28, 360 (1965)

• Masuda, Y. et al.: Biochem. Pharmacol., 64, 677 (1965)

生物活性

PubChem BioAssay

化合物信息

ID:104462