CAS 53772-83-1|zuclopenthixol decanoate|Clopixol|2-(4-{3-[(9Z)-2-chloro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol|Zuclopentixol [spanish]|zuclopenthixol acetate|zuclopenthixol dihydr...

基本信息

化学结构

分子式

C₂₂H₂₅ClN₂OS

分子量

400.9647

精确质量

400.13761211

电荷

InChI

InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-

InChIKey

WFPIAZLQTJBIFN-DVZOWYKESA-N

Canonic Smiles

OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(Cl)cc2

Isomeric Smiles

Clc1cc2/C(=C\CCN3CCN(CC3)CCO)/c3c(Sc2cc1)cccc3

计算属性

JChem

Acid pKa

15.593099

质子受体

质子供体

LogD (pH = 5.5)

1.396457

LogD (pH = 7.4)

3.1579008

Log P

4.222984

摩尔折射率

127.0003

极化性

45.285892

极化表面积

26.71

可自由旋转的化学键

里宾斯基五规则

true

ALOGPS 2.1

Log P

4.46

LOG S

-5.19

溶解度

2.60e-03 g/l

数据来源

学术数据

数据来源

名称和标识

IUPAC标准名

2-(4-{3-[(9Z)-2-chloro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol

别名

zuclopenthixol dihydrochlorideClopenthixolzuclopenthixol acetateZuclopenthixolum [latin]Zuclopentixol [spanish]Zuclopenthixolzuclopenthixol decanoate

商标名

ClopixolAcuphase

IUPAC传统名

zuclopenthixol

名称和标识

数据登录号

CAS号

53772-83-1

PubChem CID

5311507

PubChem SID

46507341160964860

数据登录号

化合物性质

暂无数据

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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

DrugBank

DB01624

Drug Groups

approved

Description

A thioxanthene with therapeutic actions similar to the phenothiazine antipsychotics. It is an antagonist at D1 and D2 dopamine receptors. [PubChem]

Indication

For the management of the manifestations of schizophrenia.

Pharmacology

Zuclopenthixol is a thioxanthene with therapeutic actions similar to the phenothiazine antipsychotics. It is an antagonist at D1 and D2 dopamine receptors.

Toxicity

Although there have not been any cases of overdosage reported, the symptoms are likely to be somnolence, coma, extrapyramidal symptoms, convulsions, hypotension, shock, or hyper- or hypothermia.

Affected Organisms

Humans and other mammals

Biotransformation

The metabolism of zuclopenthixol is mainly by sulphoxidation, side chain N-dealkylation and glucuronic acid conjugation. The metabolites are devoid of pharmacological activity.

Half Life

20 hours (range 12-28 hours) for the tablet form, 19 days for the depot form.

Protein Binding

Approximately 98%.

References

• [Link]

• Khalifa AE: Zuclopenthixol facilitates memory retrieval in rats: possible involvement of noradrenergic and serotonergic mechanisms. Pharmacol Biochem Behav. 2003 Jul;75(4):755-62. [Pubmed]

External Links

• [Wikipedia]

描述信息

参考文献

PubChem文献

数据源提供

• Link

• Khalifa AE: Zuclopenthixol facilitates memory retrieval in rats: possible involvement of noradrenergic and serotonergic mechanisms. Pharmacol Biochem Behav. 2003 Jul;75(4):755-62. Pubmed

参考文献

生物活性

PubChem BioAssay

生物活性

导航

基本信息

计算属性

• RDKit

• JChem

• ALOGPS 2.1

数据来源

• 学术数据