CAS 104-29-0|Adermykon|p-Chlorophenyl glyceryl ether|Chlorphenesine [INN-French]|Mycil|Chlorphenesinum [INN-Latin]|3-(4-chlorophenoxy)propane-1,2-diol|Chlorphenesin|Chlorophenesin|Gecophen|Clorfenes...

基本信息

化学结构

分子式

C₉H₁₁ClO₃

分子量

202.63484

精确质量

202.03967189

电荷

InChI

InChI=1S/C9H11ClO3/c10-7-1-3-9(4-2-7)13-6-8(12)5-11/h1-4,8,11-12H,5-6H2

InChIKey

MXOAEAUPQDYUQM-UHFFFAOYSA-N

Canonic Smiles

OCC(COc1ccc(cc1)Cl)O

Isomeric Smiles

Clc1ccc(OCC(O)CO)cc1

计算属性

JChem

Acid pKa

13.624308

质子受体

质子供体

LogD (pH = 5.5)

1.0991822

LogD (pH = 7.4)

1.099182

Log P

1.0991822

摩尔折射率

49.5808

极化性

19.680779

极化表面积

49.69

可自由旋转的化学键

里宾斯基五规则

true

ALOGPS 2.1

Log P

1.46

LOG S

-1.29

溶解度

1.04e+01 g/l

数据来源

学术数据

产品目录

数据来源

名称和标识

商标名

AdermykonMycilGecophenMaolateDemykonGechophen

别名

p-Chlorophenyl glyceryl etherChlorphenesine [INN-French]Chlorphenesinum [INN-Latin]ChlorphenesinChlorophenesinClorfenesina [INN-Spanish]alpha-Glyceryl etherp-ChlorophenylGecophenAdermykonDemykon(±)-p-Chlorphenesin3-(4-Chlorophenoxy)-1,2-propanediolNSC 6401p-Chlorphenesinp-Chlorophenyl-α-glyceryl etherElestab CPNChlorphenesin3-(p-Chlorophenoxy)propane-1,2-diolMycilGlycerol α-p-chlorophenyl ether3-(4-chlorophenoxy)propane-1,2-diol3-(4-氯苯氧基)-1,2-丙二醇3-(4-Chlorophenoxy)-1,2-propanediol

IUPAC标准名

3-(4-chlorophenoxy)propane-1,2-diol

IUPAC传统名

C9H11ClO3 chlorphenesin

名称和标识

数据登录号

PubChem SID

PubChem CID

MDL号

CAS号

EC号

数据登录号

化合物性质

安全信息

保存条件

Refrigerator, Under Inert Atmosphere

MSDS下载

下载链接

RTECS编号

TY4260000

GHS警示性声明

P261-P305+P351+P338-P302+P352-P321-P405-P501A

H315-H319-H335

刺激性 (Xi)

36/37/38

急性毒性（口服，皮肤接触，吸入），类别4

皮肤刺激，类别2

眼刺激，类别2

皮肤过敏，类别1

特定目标器官毒性 -一次接触，类别3

26-37

否

产品相关信息

质检报告

下载链接

纯度

95%

99%

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

DrugBank

DB00856

Drug Groups

approved

Description

A centrally acting muscle relaxant. Its mode of action is unknown. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1203)

Indication

Used, along with rest and physical therapy, to treat injuries and other painful muscular conditions. Investigated for use in trigeminal neuralgia (tic douloureux), a neuropathic disorder characterized by severe facial pain. Was investigated as a modulator of histamine release.

Pharmacology

Chlorphenesin is a muscle relaxant. It blocks nerve impulses (or pain sensations) that are sent to the brain.

Toxicity

Symptoms of a chlorphenesin overdose include drowsiness and nausea.

Affected Organisms

Humans and other mammals

Biotransformation

Hepatic. 85% of a dose excreted within 24 hours as the glucuronide metabolite.

Absorption

Rapid and complete.

Half Life

2.3-5 hours

References

• Malley A, Baecher L: Inhibition of histamine and SRS-A from monkey lung tissue by chlorophenesin. J Immunol. 1971 Aug;107(2):586-8. [Pubmed]

• Kurachi M, Aihara H: Effect of a muscle relaxant, chlorphenesin carbamate, on the spinal neurons of rats. Jpn J Pharmacol. 1984 Sep;36(1):7-13. [Pubmed]

• Dalessio DJ: Medical treatment of the major neuralgias. Semin Neurol. 1988 Dec;8(4):286-90. [Pubmed]

External Links

• [Drugs.com]

TRC

C424250

Chlorphenesin is an antigen-associated immunosuppressant that inhibits IgE-mediated histamine release. Chlorphenesin is also used as an antimycotic agent.

描述信息

参考文献

PubChem文献

数据源提供

• Malley A, Baecher L: Inhibition of histamine and SRS-A from monkey lung tissue by chlorophenesin. J Immunol. 1971 Aug;107(2):586-8. Pubmed

• Kurachi M, Aihara H: Effect of a muscle relaxant, chlorphenesin carbamate, on the spinal neurons of rats. Jpn J Pharmacol. 1984 Sep;36(1):7-13. Pubmed

• Dalessio DJ: Medical treatment of the major neuralgias. Semin Neurol. 1988 Dec;8(4):286-90. Pubmed

• Lichtenstein, L.M. et al.: J. Immunol., 103, 866 (1970)

• Whang, H.Y. et al.: Infect. Immun., 2, 60 (1970)

• Thoma, K. et al.: Pharmazie, 52, 362 (1970)

参考文献

生物活性

PubChem BioAssay

生物活性

数据来源

学术数据

产品目录

名称和标识

商标名

AdermykonMycilGecophenMaolateDemykonGechophen

别名

IUPAC标准名

3-(4-chlorophenoxy)propane-1,2-diol

IUPAC传统名

C9H11ClO3 chlorphenesin

数据登录号

PubChem SID

PubChem CID

MDL号

CAS号

EC号

描述信息

DB00856

Drug Groups

approved

Description

A centrally acting muscle relaxant. Its mode of action is unknown. (From Martindale, The Extra Pharmacopoeia, 30th ed, p1203)

Indication

Pharmacology

Chlorphenesin is a muscle relaxant. It blocks nerve impulses (or pain sensations) that are sent to the brain.

Toxicity

Symptoms of a chlorphenesin overdose include drowsiness and nausea.

Affected Organisms

Humans and other mammals

Biotransformation

Hepatic. 85% of a dose excreted within 24 hours as the glucuronide metabolite.

Absorption

Rapid and complete.

Half Life

2.3-5 hours

References

• Malley A, Baecher L: Inhibition of histamine and SRS-A from monkey lung tissue by chlorophenesin. J Immunol. 1971 Aug;107(2):586-8. [Pubmed]

• Kurachi M, Aihara H: Effect of a muscle relaxant, chlorphenesin carbamate, on the spinal neurons of rats. Jpn J Pharmacol. 1984 Sep;36(1):7-13. [Pubmed]

• Dalessio DJ: Medical treatment of the major neuralgias. Semin Neurol. 1988 Dec;8(4):286-90. [Pubmed]

External Links

• [Drugs.com]

TRC

C424250

Chlorphenesin is an antigen-associated immunosuppressant that inhibits IgE-mediated histamine release. Chlorphenesin is also used as an antimycotic agent.

参考文献

PubChem文献

数据源提供

• Malley A, Baecher L: Inhibition of histamine and SRS-A from monkey lung tissue by chlorophenesin. J Immunol. 1971 Aug;107(2):586-8. Pubmed

• Kurachi M, Aihara H: Effect of a muscle relaxant, chlorphenesin carbamate, on the spinal neurons of rats. Jpn J Pharmacol. 1984 Sep;36(1):7-13. Pubmed

• Dalessio DJ: Medical treatment of the major neuralgias. Semin Neurol. 1988 Dec;8(4):286-90. Pubmed

• Lichtenstein, L.M. et al.: J. Immunol., 103, 866 (1970)

• Whang, H.Y. et al.: Infect. Immun., 2, 60 (1970)

• Thoma, K. et al.: Pharmazie, 52, 362 (1970)

生物活性

PubChem BioAssay

化合物性质

安全信息

保存条件

Refrigerator, Under Inert Atmosphere

MSDS下载

下载链接

RTECS编号

TY4260000

GHS警示性声明

P261-P305+P351+P338-P302+P352-P321-P405-P501A

H315-H319-H335

刺激性 (Xi)

36/37/38

急性毒性（口服，皮肤接触，吸入），类别4

皮肤刺激，类别2

眼刺激，类别2

皮肤过敏，类别1

特定目标器官毒性 -一次接触，类别3

26-37

否

产品相关信息

质检报告

下载链接

纯度

95%

99%

化合物信息

ID:734