噻氯匹定

噻氯匹定 基本信息
CAS号 55142-85-3 分子式 C14H14ClNS
分子量 263.78600 精确质量 　263.05400
PSA 　31.48000 LogP 　3.89770
我要卖该产品 我要采购该产品
充值推广 查看更多供应商
目录
基本信息 制备方法与用途 物化性质 安全信息 合成路线 毒性 海关数据 结构与计算数据 上下游

基本信息 展开↓

CAS号：
55142-85-3
3D弹球模型：
立即前往扯扯看
分子式：
C14H14ClNS
分子量：
263.78600
中文名称：
噻氯匹定
英文名称：
ticlopidine
中文别名：
噻氯匹定;
5-(2-氯苄基)4,5,6,7-四氢噻吩并[3,2-C]吡啶;
氯苄噻唑啶
英文别名：
ticlopidine;
Ticlopidine [INN:BAN];
Ticlopidinum [INN-Latin];
Ticlopidina [INN-Spanish];
5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine;
5-(o-chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;
5-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydrothieno[3,2-C]pyridine;
1,2,3,4-tetrahydro-N-<(2-chlorophenyl)methyl>-thieno<3,2-c>pyridine;
5-(2-Chlorobenzyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;
UNII-OM90ZUW7M1;
Ticlopidinum;
Ticlopidina;
Ticlopidine (INN);
[14C]-Ticlopidine;
Ticlid
精确分子量/精确质量：
263.05400
极性分子表面积/PSA：
31.48000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
EINECS：
259-498-5
InChI：
InChI=1/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

生产制备方法及用途展开↓

制备方法

噻吩溶于无水乙醚,在0℃缓慢滴加丁基锂乙醚溶液,再在室温搅拌。然后滴加环氧乙烷乙醚溶液,处理得2-羟乙基噻吩。将其溶于吡啶,在5℃以下分批加入对甲苯磺酰氯,室温搅拌,处理得磺酰化产物。该磺酰化产物和邻氯苄胺溶于甲苯,回流。滤除固体,滤液用盐酸提取。提取液浓缩,放置。沉淀用丙酮洗。然后将其与甲醛及水搅拌,回流,滤液用稀氢氧化钠碱化,异丙醚提取,经处理加入少许浓盐酸和丙酮,放置,析出结晶,即为盐酸噻氯匹定。

合成制备方法

噻吩溶于无水乙醚，在0℃缓慢滴加丁基锂乙醚溶液，再在室温搅拌。然后滴加环氧乙烷乙醚溶液，处理得2-羟乙基噻吩。将其溶于吡啶，在5℃以下分批加入对甲苯磺酰氯，室温搅拌，处理得磺酰化产物。该磺酰化产物和邻氯苄胺溶于甲苯，回流。滤除固体，滤液用盐酸提取。提取液浓缩，放置。沉淀用丙酮洗。然后将其与甲醛及水搅拌，回流，滤液用稀氢氧化钠碱化，异丙醚提取，经处理加入少许浓盐酸和丙酮，放置，析出结晶，即为盐酸噻氯匹定。

用途简介

抗血小板聚集药,能抑制ADP、胶原、凝血酶、花生四烯酸以及前列腺素内过氧化物等多种诱导剂引起的血小板聚集,能抑制外源和内源性ADP诱导的血小板聚集反应。用于血管手术和体外循环发生的血栓、动脉闭塞性脉管炎及闭塞性动脉硬化。可降低中风、心肌梗死或血栓栓塞性卒中的血管坏死发生率。

用途

抗血小板聚集药，能抑制ADP、胶原、凝血酶、花生四烯酸以及前列腺素内过氧化物等多种诱导剂引起的血小板聚集，能抑制外源和内源性ADP诱导的血小板聚集反应。用于血管手术和体外循环发生的血栓、动脉闭塞性脉管炎及闭塞性动脉硬化。可降低中风、心肌梗死或血栓栓塞性卒中的血管坏死发生率。

物化性质展开↓

其它信息：

1.性状：白色或微黄色结晶性粉末

2.熔点：190

3.溶解性：易溶于冰醋酸、乙醇或水，溶于95％乙醇、甲醇或氯仿，微溶于正丁醇，不溶于乙醚。

安全信息展开↓

海关代码：
2934999090
WGK_Germany：
3
德国有关水污染物质的分类清单
危险类别码：
R34:Causes burns.
安全说明：
S26-S27-S36/37/39-S45
危险标志：
C,Xi

合成路线查看所有的合成路线

  • 50-00-0

    甲醛

  • +

  • 54903-50-3

    4,5,6,7-四氢噻吩并[3.2-c]吡啶

  • +

  • 694-80-4

    2-溴氯苯

  • →

    ~93%

  • 55142-85-3

    噻氯匹定

  • 865187-82-2

    2-(2-bromoethyl)-3-(bromomethyl)thiophene

  • +

  • 89-97-4

    邻氯苯甲胺

  • →

    ~76%

  • 55142-85-3

    噻氯匹定

  • 79714-07-1

    5-(2-chloro-benzyl)-5,6-dihydro-4H-thieno[3,2-c]pyridin-7-one, hydrochloride

  • →

    ~62%

  • 55142-85-3

    噻氯匹定

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XJ9089200
CHEMICAL NAME :
Thieno(3,2-c)pyridine, 4,5,6,7-tetrahydro-5-((2-chlorophenyl)methyl)-
CAS REGISTRY NUMBER :
55142-85-3
LAST UPDATED :
199712
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C14-H14-Cl-N-S
MOLECULAR WEIGHT :
263.80

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
336 mg/kg/47D-I
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - other changes Blood - agranulocytosis Blood - thrombocytopenia
REFERENCE :
APHRER Annals of Pharmacotherpy. (Harvey Whitney Books Co., POB 42696, Cincinnati, OH 45242) V. 26- 1992- Volume(issue)/page/year: 28,1236,1994
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
600 mg/kg/60D-I
TOXIC EFFECTS :
Blood - aplastic anemia Blood - changes in bone marrow (not otherwise specified) Nutritional and Gross Metabolic - body temperature increase
REFERENCE :
IJMDAI Israel Journal of Medical Sciences. (POB 1435, Jerusalem 91013, Israel) V.1- 1965- Volume(issue)/page/year: 31,444,1995
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - man
DOSE/DURATION :
429 mg/kg/6OD-I
TOXIC EFFECTS :
Gastrointestinal - hypermotility, diarrhea
REFERENCE :
LANCAO Lancet. (7 Adam St., London WC2N 6AD, UK) V.1- 1823- Volume(issue)/page/year: 1,407,1984
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human - woman
DOSE/DURATION :
100 mg/kg/10D-I
TOXIC EFFECTS :
Kidney, Ureter, Bladder - changes in tubules (including acute renal failure, acute tubular necrosis) Kidney, Ureter, Bladder - urine volume decreased Blood - eosinophilia
REFERENCE :
AJKDDP American Journal of Kidney Diseases. (Grune & Stratton, Inc., Journal Subscription Dept., POB 6280, Duluth, MN 55806) V.1- 1981- Volume(issue)/page/year: 25,934,1995
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1780 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - pleural thickening Skin and Appendages - hair
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 1,295,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - pleural thickening Skin and Appendages - hair
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 1,295,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
70 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - pleural thickening Skin and Appendages - hair
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 1,295,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
600 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - pleural thickening Skin and Appendages - hair
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 1,295,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1250 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - pleural thickening Skin and Appendages - hair
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 1,295,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
88 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - pleural thickening Skin and Appendages - hair
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 1,295,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
>6 gm/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - pleural thickening Skin and Appendages - hair
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 1,295,1983
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Primate - monkey
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - pleural thickening Skin and Appendages - hair
REFERENCE :
NDADD8 New Drugs Annual: Cardiovascular Drugs. (New York, NY) V.1-2, 1983-84. For publisher information, see NCDREP. Volume(issue)/page/year: 1,295,1983
毒理学数据：

急性毒性LD50小鼠(24h)：55mg/kg静脉注射；＞300mg/kg口服

海关数据查看详细

中国海关编码：2934999090

概述：
2934999090. 其他杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素：
品名, 成分含量, 用途
摘要/Summary：
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

分子结构与计算化学数据展开↓

分子结构数据

1、  摩尔折射率：74.43

2、  摩尔体积（cm3/mol）：207.0

3、  等张比容（90.2K）：554.7

4、  表面张力（dyne/cm）：51.5

5、  极化率（10-24cm3）：29.51

计算化学数据

1.疏水参数计算参考值（XlogP）:3.6

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:2

5.互变异构体数量:无

6.拓扑分子极性表面积31.5

7.重原子数量:17

8.表面电荷:0

9.复杂度:261

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:0

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

上下游相关产品

上游产品

更多

  • 865187-82-2

    2-(2-bromoethyl)-3-(bromomethyl)thiophene

  • 89-97-4

    邻氯苯甲胺

  • 54903-50-3

    4,5,6,7-四氢噻吩并[3.2-c]吡啶

  • 611-19-8

    邻氯氯苄

  • 128988-10-3

    N/A

下游产品

更多

  • 68559-55-7

    5-[(2-chlorophenyl)methyl]-6,7-dihydrothieno[3,2-c]pyridin-4-one

  • 83427-51-4

    5-[(2-chlorophenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one

立即下载安装“化学加”APP
专业、功能强大，随时调用更加方便
下载APP