34675-84-8

34675-84-8结构式
34675-84-8结构式
  • 常用中文名:西曲酸酯
  • 常用英文名:cetraxate
  • CAS号:34675-84-8
  • 分子式:C17H23NO4
  • 分子量:305.36900
  • 相关类别: 研究领域 感染
  • 发布时间:2018-08-24 11:56:44
  • 更新时间:2024-01-13 18:55:23
  • 抗溃疡药。用于治疗胃炎。


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中文名 西曲酸酯
英文名 cetraxate
中文别名 反式-4-[[[4-(氨基甲基)环己基]羰基]氧]苯丙酸
英文别名 Cetraxate [INN]
Cetraxate
3-[4-[4-(aminomethyl)cyclohexanecarbonyl]oxyphenyl]propanoic acid
4'-(2-carboxyethyl)phenyl.trans-4-aminomethylcyclohexane carboxylate
trans-4-(((4-(Aminomethyl)cyclohexyl)carbonyl)oxy)benzenepropanoic acid
Cetraxato [INN-Spanish]
3-[4-({[4-(aminomethyl)cyclohexyl]carbonyl}oxy)phenyl]propanoic acid
Cetraxatum [INN-Latin]
p-hydroxyhydrocinnamic acid trans-(4-aminomethyl)cyclohexanecarboxylate
描述 Cetraxate 是一种有口服活性的抗溃疡药物。Cetraxate 能增加胃粘膜的血流量。Cetraxate与Omeprazole (HY-B0113)、Amoxicillin (HY-B0467A) 和 Clarithromycin (HY-17508) 联合使用时,可提高吸烟者幽门螺杆菌的根除率。
相关类别
参考文献

[1]. Kamada T, et al. Cetraxate, a mucosal protective agent, combined with omeprazole, amoxycillin, and clarithromycin increases the eradication rate of helicobacter pylori in smokers. Aliment Pharmacol Ther. 2000 Aug;14(8):1089-94.  

密度 1.182g/cm3
沸点 480.9ºC at 760mmHg
分子式 C17H23NO4
分子量 305.36900
闪点 244.6ºC
精确质量 305.16300
PSA 89.62000
LogP 3.07460
折射率 1.551
储存条件 库房低温通风干燥
分子结构

1、 摩尔折射率:82.46

2、 摩尔体积(cm3/mol):258.2

3、 等张比容(90.2K):686.4

4、 表面张力(dyne/cm):49.9

5、 极化率(10-24cm3):32.69

计算化学

1.疏水参数计算参考值(XlogP):-0.4

2.氢键供体数量:2

3.氢键受体数量:5

4.可旋转化学键数量:7

5.互变异构体数量:无

6.拓扑分子极性表面积89.6

7.重原子数量:22

8.表面电荷:0

9.复杂度:369

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DA8340500
CHEMICAL NAME :
Benzenepropanoic acid, 4-(((4-(aminomethyl)cyclohexyl)carbonyl)oxy)-, trans-
CAS REGISTRY NUMBER :
34675-84-8
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C17-H23-N-O4
MOLECULAR WEIGHT :
305.41
WISWESSER LINE NOTATION :
L6TJ AVOR D2VQ& D1Z

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
716 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
1503 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
345 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1520 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
4310 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
681 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 19,323,1980

海关编码 2922509090

化合物(I)在二氯乙烷中,用1.2倍的氯化亚砜氯化,得到酰氯(II)。再和对羟基苯丙酸苄酯(Ⅲ)反应,生成物(Ⅳ)氢解和水解得到西曲酸酯。

海关编码 2922509090
中文概述 2922509090. 其他氨基醇酚、氨基酸酚及其他含氧基氨基化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:AB. 最惠国关税:6.5%. 普通关税:30.0%
申报要素 品名, 成分含量, 用途, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
监管条件 A.入境货物通关单 B.出境货物通关单
检验检疫 R.进口食品卫生监督检验 S.出口食品卫生监督检验
Summary 2922509090. other amino-alcohol-phenols, amino-acid-phenols and other amino-compounds with oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%