您当前所在的位置:首页 > 产品中心 > 产品详细信息
55142-85-3 分子结构
点击图片或这里关闭

5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine

ChemBase编号:93
分子式:C14H14ClNS
平均质量:263.78566
单一同位素质量:263.05354813
SMILES和InChIs

SMILES:
Clc1c(CN2CCc3sccc3C2)cccc1
Canonical SMILES:
Clc1ccccc1CN1CCc2c(C1)ccs2
InChI:
InChI=1S/C14H14ClNS/c15-13-4-2-1-3-11(13)9-16-7-5-14-12(10-16)6-8-17-14/h1-4,6,8H,5,7,9-10H2
InChIKey:
PHWBOXQYWZNQIN-UHFFFAOYSA-N

引用这个纪录

CBID:93 http://www.chembase.cn/molecule-93.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
5-[(2-chlorophenyl)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridine
IUPAC传统名
ticlopidine
商标名
Ticlid
别名
Ticlopidine HCL
Ticlopidine Hydrochloride
Ticlopidine
CAS号
55142-85-3
PubChem SID
46504438
160963556
PubChem CID
5472
CHEBI ID
9588
ATC码
B01AC05
CHEMBL
833
Chemspider ID
5273
DrugBank ID
DB00208
KEGG ID
D08594
美国药典/FDA物质标识码
OM90ZUW7M1
维基百科标题
Ticlopidine
Medline Plus
a695036

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格

理论计算性质

理论计算性质

JChem ALOGPS 2.1
质子受体 质子供体
LogD (pH = 5.5) 2.3920543  LogD (pH = 7.4) 3.93956 
Log P 4.1959305  摩尔折射率 74.328 cm3
极化性 28.51201 Å3 极化表面积 3.24 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 4.25  LOG S -4.08 
溶解度 2.19e-02 g/l 

分子性质

分子性质

理化性质 药理学性质 生物活性(PubChem)
溶解度
Freely soluble expand 查看数据来源
疏水性(logP)
2.9 expand 查看数据来源
给药途径
Oral expand 查看数据来源
生物利用度
>80% expand 查看数据来源
排泄
Renal and fecal expand 查看数据来源
半衰期
*12 hours (single dose) expand 查看数据来源
代谢
Hepatic expand 查看数据来源
蛋白结合率
98% expand 查看数据来源
妊娠期药物分类
B1 (Australia) expand 查看数据来源
C (US) expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia
DrugBank -  DB00208 external link
Item Information
Drug Groups approved
Description Ticlopidine is an effective inhibitor of platelet aggregation. The drug has been found to significantly reduce infarction size in acute myocardial infarcts and is an effective antithrombotic agent in arteriovenous fistulas, aorto-coronary bypass grafts, ischemic heart disease, venous thrombosis, and arteriosclerosis. [PubChem]
Indication Used to reduce the risk of thrombotic stroke (fatal or nonfatal) in patients who have experienced stroke precursors, and in patients who have had a completed thrombotic stroke.
Pharmacology Ticlopidine is a platelet aggregation inhibitor structurally and pharmacologically similar to clopidogrel. When taken orally, ticlopidine causes a time- and dose-dependent inhibition of both platelet aggregation and release of platelet granule constituents, as well as a prolongation of bleeding time. The intact drug has no significant in vitro activity at the concentrations attained in vivo; and, although analysis of urine and plasma indicates at least 20 metabolites, no metabolite which accounts for the activity of ticlopidine has been isolated.
Toxicity Single oral doses of ticlopidine at 1600 mg/kg and 500 mg/kg were lethal to rats and mice, respectively. Symptoms of acute toxicity were GI hemorrhage, convulsions, hypothermia, dyspnea, loss of equilibrium and abnormal gait.
Affected Organisms
Humans and other mammals
Biotransformation Metabolized extensively by the liver; only trace amounts of intact drug are detected in the urine. At least 20 metabolites have been identified. It has been proposed that 1 or more active metabolites may account for ticlopidine's activity, because ticlopidine itself is an extremely weak platelet aggregation inhibitor in vitro at the concentrations achieved in vivo. However, no active metabolite has been identified.
Absorption Absorption is greater than 80%. Food increases absorption.
Half Life Half-life following a single 250-mg dose is approximately 7.9 hours in subjects 20 to 43 years of age and 12.6 hours in subjects 65 to 76 years of age. With repeated dosing (250 mg twice a day), half-life is about 4 days in subjects 20 to 43 years of age and about 5 days in subjects 65 to 76 years of age.
Protein Binding Binds reversibly (98%) to plasma proteins, mainly to serum albumin and lipoproteins. The binding to albumin and lipoproteins is nonsaturable over a wide concentration range. Ticlopidine also binds to alpha-1 acid glycoprotein. At concentrations attained with the recommended dose, only 15% or less ticlopidine in plasma is bound to this protein.
Elimination Ticlopidine hydrochloride is metabolized extensively by the liver; only trace amounts of intact drug are detected in the urine. Approximately 1/3 of the dose excreted in the feces is intact ticlopidine hydrochloride, possibly excreted in the bile.
External Links
Wikipedia
RxList
Drugs.com

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    暂无数据
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle