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58-39-9 分子结构
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2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol

ChemBase编号:728
分子式:C21H26ClN3OS
平均质量:403.96864
单一同位素质量:403.14851115
SMILES和InChIs

SMILES:
Clc1cc2N(CCCN3CCN(CC3)CCO)c3c(Sc2cc1)cccc3
Canonical SMILES:
OCCN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(Cl)cc2
InChI:
InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
InChIKey:
RGCVKNLCSQQDEP-UHFFFAOYSA-N

引用这个纪录

CBID:728 http://www.chembase.cn/molecule-728.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol
IUPAC传统名
perphenazine
商标名
Apo-Perphenazine
Decentan
Emesinal
Etrafon-A
Etrafon-Forte
F-Mon
Fentazin
Perphenan
Thilatazin
Trifaron
Trilafon
Trilifan
Triphenot
别名
4-[3-(2-Chloro-10H-phenothiazin-10-yl)propyl]-1-(piperazine-d8)ethanol Dihydrochloride
1-(2-Hydroxyethyl)-4-[3-(2-chloro-10-phenothiazinyl)propyl]piperazine-d8-Dihydrochloride
Chloriprozine-d8
Chlorperphenazine-d8
Decentan-d8
Emesinal-d8
Etaperazin-d8
Perfenil-d8
Perphenan-d8
Perphenazin-d8
Sch 3940-d8
Thilatazin-d8
Perphenazine-d8 Dihydrochloride
2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethan-1-ol
PZC
Perphenazin
Perfenazine
Perfenazina
Chlorperphenazine
Etaperazin
Etaperazine
Ethaperazine
Perphenazine
Perphenazine
CAS号
58-39-9
EC号
200-381-5
MDL号
MFCD00056798
PubChem SID
160964191
46507058
24278642
PubChem CID
4748
CHEBI ID
8028
ATC码
N05AB03
CHEMBL
567
Chemspider ID
4586
DrugBank ID
DB00850
IUPHAR配体索引
209
KEGG ID
D00503
美国药典/FDA物质标识码
FTA7XXY4EZ
维基百科标题
Perphenazine
Medline Plus
a682165

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 15.593098  质子受体
质子供体 LogD (pH = 5.5) 1.0448196 
LogD (pH = 7.4) 2.8195775  Log P 3.6920178 
摩尔折射率 116.0987 cm3 极化性 44.746113 Å3
极化表面积 29.95 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 4.15  LOG S -4.23 
溶解度 2.37e-02 g/l 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
28.3 mg/L expand 查看数据来源
DMSO expand 查看数据来源
Methanol expand 查看数据来源
外观
Off-White Solid expand 查看数据来源
熔点
190-193°C expand 查看数据来源
疏水性(logP)
3.807 expand 查看数据来源
3.9 expand 查看数据来源
保存条件
-20°C Freezer, Under Inert Atmosphere expand 查看数据来源
欧盟危险性物质标志
有害性(Harmful) 有害性(Harmful) (Xn) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
危险公开号
22-43 expand 查看数据来源
安全公开号
28-36/37/39-45 expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H302-H317 expand 查看数据来源
GHS警示性声明
P280 expand 查看数据来源
保存温度
2-8°C expand 查看数据来源
给药途径
oral and i.m. expand 查看数据来源
生物利用度
40% expand 查看数据来源
半衰期
8-12 (up to 20) hours expand 查看数据来源
代谢
hepatic expand 查看数据来源
法定药品分级
POM (UK) expand 查看数据来源
Rx-only (US) expand 查看数据来源
妊娠期药物分类
C (Australia) expand 查看数据来源
C (US) expand 查看数据来源
相关基因信息
human ... ADRA1A(148), ADRA1B(147), ADRA1D(146), ADRA2A(150), ADRA2B(151), ADRA2C(152), DRD2(1813), OPRS1(10280) expand 查看数据来源
纯度
95% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia Sigma Aldrich Sigma Aldrich TRC TRC
DrugBank -  DB00850 external link
Item Information
Drug Groups approved
Description An antipsychotic phenothiazine derivative with actions and uses similar to those of chlorpromazine. [PubChem]
Indication For use in the management of the manifestations of psychotic disorders and for the control of severe nausea and vomiting in adults.
Pharmacology Perphenazine is a piperazinyl phenothiazine, acts on the central nervous system, and has a greater behavioral potency than other phenothiazine derivatives whose side chains do not contain a piperazine moiety. It is a member of a class of drugs called phenothiazines, which are dopamine D1/D2 receptor antagonists. Perphenazine is 10 to 15 times as potent as chlorpromazine; that means perphenazine is a highly potent antipsychotic. In equivalent doses it has approximately the same frequency and severity of early and late extrapypramidal side-effects compared to Haloperidol.
Toxicity Symptoms of overdose include stupor or coma, and children may have convulsive seizures. Signs of arousal may not occur for 48 hours. Oral LD50=318 mg/kg (rat); IPR LD50=64 mg/kg (mouse)
Affected Organisms
Humans and other mammals
Biotransformation Hepatic.
Absorption Absolute bioavailability is 40% following oral administration.
Half Life 8-12 hours, but ranges up to 20 hours.
Elimination Perphenazine is extensively metabolized in the liver to a number of metabolites by sulfoxidation, hydroxylation, dealkylation, and glucuronidation.
External Links
Wikipedia
RxList
PDRhealth
Drugs.com
Sigma Aldrich -  P6402 external link
Biochem/physiol Actions
D2 dopamine receptor antagonist; α-adrenergic receptor antagonist and σ-receptor agonist; phenothiazine antipsychotic. Inhibits glutamate dehydrogenase in vitro.
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. P6402.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Toronto Research Chemicals -  P291102 external link
Labelled Perphenazine. D2 dopamine receptor antagonist; α-adrenergic receptor antagonist and σ-receptor agonist; phenothiazine antipsychotic. Inhibits glutamate dehydrogenase in vitro. Antipsychotic.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Gaertner, H.J., et al.: Drug Metab. Dispos., 3, 437 (1975)
  • O Brien, S., et al.: J. Med. Chem., 48, 1287 (1975)
  • Briggs, K., et al.: Toxicology, 231, 113 (1975)
  • Toga, T., et al.: J. Pharmacol. Sci., 105, 207 (1975)
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专利

专利

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