CAS 22316-47-8|clobazam|7-Chloro-1-methyl-5-phenyl-1H-1,5-benzodiazepine-2,4-(3H,5H)-dione|Clorepin|Urbadan|Clobazam|Urbanyl|Clobazam|7-chloro-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazep...

基本信息

化学结构

分子式

C₁₆H₁₃ClN₂O₂

分子量

300.73962

精确质量

300.06655535

电荷

InChI

InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3

InChIKey

CXOXHMZGEKVPMT-UHFFFAOYSA-N

Canonic Smiles

Clc1ccc2c(c1)N(C(=O)CC(=O)N2C)c1ccccc1

Isomeric Smiles

Clc1cc2N(C(=O)CC(=O)N(c2cc1)C)c1ccccc1

计算属性

JChem

Acid pKa

4.068304

质子受体

质子供体

LogD (pH = 5.5)

1.1145105

LogD (pH = 7.4)

-0.39646015

Log P

2.554376

摩尔折射率

80.2986

极化性

30.81095

极化表面积

40.62

可自由旋转的化学键

里宾斯基五规则

true

ALOGPS 2.1

Log P

2.14

LOG S

-3.26

溶解度

1.64e-01 g/l

数据来源

学术数据

产品目录

数据来源

名称和标识

IUPAC传统名

clobazam

别名

7-Chloro-1-methyl-5-phenyl-1H-1,5-benzodiazepine-2,4-(3H,5H)-dioneClobazamClobazamclobazamFriziumFrisiumLM 2717ClobazepamMystanUrbanylH 4723UrbadanNSC 336279HR 3767-Chloro-1-methyl-5-phenyl-1H-1,5-benzodiazepine-2,4(3H,5H)-dione

商标名

ClorepinUrbadanUrbanylChlorepinFrisiumMystanFrisium, Urbanol, Onfi

IUPAC标准名

7-chloro-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione

名称和标识

数据登录号

PubChem CID

2789

CAS号

22316-47-8

PubChem SID

4650611516096369624893060

Chemspider ID

ATC码

DrugBank ID

维基百科标题

美国药典/FDA物质标识码

CHEMBL

CHEBI ID

KEGG ID

MDL号

EC号

数据登录号

化合物性质

药理学性质

生物利用度

90%

妊娠期药物分类

C (US)

蛋白结合率

83%

半衰期

18 hours

美国（FDA）药品许可证

Clobazam

给药途径

Oral

法定药品分级

Schedule IV (US)
Class C (New Zealand)
Class C/Sch.4 (UK)

代谢

Hepatic

排泄

Renal

安全信息

RTECS编号

DE9600000

德国WGK号

个人保护装置

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

毒品管制信息

USDEA Schedule IV; Home Office Schedule 4.1; psychotrope; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

保存条件

Controlled Substance, -20°C Freezer

下载链接

产品相关信息

质检报告

下载链接

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

DB00349

Drug Groups

illicit; approved; investigational

Description

Clobazam is a drug which is a benzodiazepine derivative. It has been marketed as an anxiolytic since 1975 and an anticonvulsant since 1984. [Wikipedia]

Indication

For treatment and management of epilepsy and anxiety disorder.

Pharmacology

Clobazam is a barbiturate used in combination with acetaminophen or aspirin and caffeine for its sedative and relaxant effects in the treatment of tension headaches, migraines, and pain.

Affected Organisms

Humans and other mammals

Biotransformation

Hepatic. Clobazam has two major metabolites: N-desmethyl-clobazam and 4'-hydroxyclobazam, the former of which is active. The demethylation is facilitated by CYP2C19, CYP3A4, and CYP2B6 and the 4'-hydroxyclobazam by CYP2C18 and CYP2C19.

Absorption

Bioavailability is 90%.

Half Life

18 hours

Protein Binding

83%

References

• Freche C: [Study of an anxiolytic, clobazam, in otorhinolaryngology in psychosomatic pharyngeal manifestations] Sem Hop Ther. 1975 Apr;51(4):261-3. [Pubmed]

• : Clobazam in treatment of refractory epilepsy: the Canadian experience. A retrospective study. Canadian Clobazam Cooperative Group. Epilepsia. 1991 May-Jun;32(3):407-16. [Pubmed]

• Wildin JD, Pleuvry BJ, Mawer GE, Onon T, Millington L: Respiratory and sedative effects of clobazam and clonazepam in volunteers. Br J Clin Pharmacol. 1990 Feb;29(2):169-77. [Pubmed]

• Kilpatrick C, Bury R, Fullinfaw R, Moulds R: Clobazam in the treatment of epilepsy. Clin Exp Neurol. 1987;23:139-44. [Pubmed]

External Links

• [Wikipedia]

Wikipedia

Clobazam

Sigma Aldrich

C8414

Biochem/physiol Actions
Anxiolytic; ligand for the GABAA receptor benzodiazepine modulatory site.

TRC

C582500

Benzodiazepine psychotherapeutic agent. Clobazam (CLB) has proven efficacy against multiple seizure types. An anxiolytic; anticonvulsant. Controlled substance (depressant).

描述信息

参考文献

PubChem文献

数据源提供

• : Clobazam in treatment of refractory epilepsy: the Canadian experience. A retrospective study. Canadian Clobazam Cooperative Group. Epilepsia. 1991 May-Jun;32(3):407-16. Pubmed

• Kilpatrick C, Bury R, Fullinfaw R, Moulds R: Clobazam in the treatment of epilepsy. Clin Exp Neurol. 1987;23:139-44. Pubmed

• Freche C: [Study of an anxiolytic, clobazam, in otorhinolaryngology in psychosomatic pharyngeal manifestations] Sem Hop Ther. 1975 Apr;51(4):261-3. Pubmed

• Wildin JD, Pleuvry BJ, Mawer GE, Onon T, Millington L: Respiratory and sedative effects of clobazam and clonazepam in volunteers. Br J Clin Pharmacol. 1990 Feb;29(2):169-77. Pubmed

• Munn, R., et al.: Pediatr. Neurol. 9, 465 (1979)

• Guberman, A., et al.: Can J. Neurol. Sci., 17, 311 (1979)

• Gastaut, H., et al.: Epilepsia, 20, 437 (1979)

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

IUPAC传统名

clobazam

别名

商标名

ClorepinUrbadanUrbanylChlorepinFrisiumMystanFrisium, Urbanol, Onfi

IUPAC标准名

7-chloro-1-methyl-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2,4-dione

数据登录号

PubChem CID

2789

CAS号

22316-47-8

PubChem SID

4650611516096369624893060

Chemspider ID

ATC码

DrugBank ID

维基百科标题

美国药典/FDA物质标识码

CHEMBL

CHEBI ID

KEGG ID

MDL号

EC号

描述信息

DB00349

Drug Groups

illicit; approved; investigational

Description

Clobazam is a drug which is a benzodiazepine derivative. It has been marketed as an anxiolytic since 1975 and an anticonvulsant since 1984. [Wikipedia]

Indication

For treatment and management of epilepsy and anxiety disorder.

Pharmacology

Clobazam is a barbiturate used in combination with acetaminophen or aspirin and caffeine for its sedative and relaxant effects in the treatment of tension headaches, migraines, and pain.

Affected Organisms

Humans and other mammals

Biotransformation

Absorption

Bioavailability is 90%.

Half Life

18 hours

Protein Binding

83%

References

• Freche C: [Study of an anxiolytic, clobazam, in otorhinolaryngology in psychosomatic pharyngeal manifestations] Sem Hop Ther. 1975 Apr;51(4):261-3. [Pubmed]

• : Clobazam in treatment of refractory epilepsy: the Canadian experience. A retrospective study. Canadian Clobazam Cooperative Group. Epilepsia. 1991 May-Jun;32(3):407-16. [Pubmed]

• Wildin JD, Pleuvry BJ, Mawer GE, Onon T, Millington L: Respiratory and sedative effects of clobazam and clonazepam in volunteers. Br J Clin Pharmacol. 1990 Feb;29(2):169-77. [Pubmed]

• Kilpatrick C, Bury R, Fullinfaw R, Moulds R: Clobazam in the treatment of epilepsy. Clin Exp Neurol. 1987;23:139-44. [Pubmed]

External Links

• [Wikipedia]

Wikipedia

Clobazam

Sigma Aldrich

C8414

Biochem/physiol Actions
Anxiolytic; ligand for the GABAA receptor benzodiazepine modulatory site.

TRC

C582500

Benzodiazepine psychotherapeutic agent. Clobazam (CLB) has proven efficacy against multiple seizure types. An anxiolytic; anticonvulsant. Controlled substance (depressant).

参考文献

PubChem文献

数据源提供

• : Clobazam in treatment of refractory epilepsy: the Canadian experience. A retrospective study. Canadian Clobazam Cooperative Group. Epilepsia. 1991 May-Jun;32(3):407-16. Pubmed

• Kilpatrick C, Bury R, Fullinfaw R, Moulds R: Clobazam in the treatment of epilepsy. Clin Exp Neurol. 1987;23:139-44. Pubmed

• Freche C: [Study of an anxiolytic, clobazam, in otorhinolaryngology in psychosomatic pharyngeal manifestations] Sem Hop Ther. 1975 Apr;51(4):261-3. Pubmed

• Wildin JD, Pleuvry BJ, Mawer GE, Onon T, Millington L: Respiratory and sedative effects of clobazam and clonazepam in volunteers. Br J Clin Pharmacol. 1990 Feb;29(2):169-77. Pubmed

• Munn, R., et al.: Pediatr. Neurol. 9, 465 (1979)

• Guberman, A., et al.: Can J. Neurol. Sci., 17, 311 (1979)

• Gastaut, H., et al.: Epilepsia, 20, 437 (1979)

生物活性

PubChem BioAssay

化合物性质

药理学性质

生物利用度

90%

妊娠期药物分类

C (US)

蛋白结合率

83%

半衰期

18 hours

美国（FDA）药品许可证

Clobazam

给药途径

Oral

法定药品分级

Schedule IV (US)
Class C (New Zealand)
Class C/Sch.4 (UK)

代谢

Hepatic

排泄

Renal

安全信息

RTECS编号

DE9600000

德国WGK号

个人保护装置

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

毒品管制信息

USDEA Schedule IV; Home Office Schedule 4.1; psychotrope; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada

保存条件

Controlled Substance, -20°C Freezer

下载链接

产品相关信息

质检报告

下载链接

化合物信息

ID:233