盐酸替利洛尔

盐酸替利洛尔 基本信息
CAS号 62774-96-3 分子式 C17H25ClN2O3
分子量 340.84500 精确质量 　340.15500
PSA 　63.49000 LogP 　2.85920
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目录
基本信息 制备方法与用途 物化性质 安全信息 毒性 海关数据 结构与计算数据

基本信息 展开↓

CAS号：
62774-96-3
分子式：
C17H25ClN2O3
分子量：
340.84500
中文名称：
盐酸替利洛尔
英文名称：
4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methylisoquinolin-1-one,hydrochloride
中文别名：
盐酸替利洛尔;
4-[3-[(1,1-二甲基乙基)氨基]-2-羟丙氧基]-2-甲基-1(2H)-异喹啉酮盐酸盐
英文别名：
4-[3-(tert-butylamino)-2-hydroxypropoxy]-2-methylisoquinolin-1-one,hydrochloride;
tilisolol hydrochloride;
4-(3-(tert-Butylamino)-2-hydroxypropoxy)-2-methylisoquinolin-1(2H)-one hydrochloride;
Tilisolol.HCl;
4-({3-[(1,1-dimethylethyl)amino]-2-hydroxypropyl}oxy)-2-methylisoquinolin-1(2H)-one hydrochloride;
Selecal;
Daim;
N-696
精确分子量/精确质量：
340.15500
极性分子表面积/PSA：
63.49000
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。

生产制备方法及用途展开↓

制备方法

20g4-羟基-2-甲基-1(2H)-异喹啉酮和52.6g环氧氯丙烷,在甲醇钠的甲醇溶液中,于50～60℃反应2h,得20.2g化合物(Ⅰ)的粗品。该粗品用柱层析提纯,可得7g纯化合物(Ⅰ)。化合物(Ⅰ)和叔丁胺反应,可得替利洛尔。

合成制备方法

20g4-羟基-2-甲基-1(2H)-异喹啉酮和52.6g环氧氯丙烷，在甲醇钠的甲醇溶液中，于50～60℃反应2h，得20.2g化合物(Ⅰ)的粗品。该粗品用柱层析提纯，可得7g纯化合物(Ⅰ)。化合物(Ⅰ)和叔丁胺反应，可得替利洛尔。

用途简介

对β1-受体和β2-受体无选择性,对内源性交感神经无兴奋作用和对膜无稳定化作用,心肌抑制作用弱。用于轻度至中度原发性高血压、心绞痛。

用途

对β１-受体和β2-受体无选择性，对内源性交感神经无兴奋作用和对膜无稳定化作用，心肌抑制作用弱。用于轻度至中度原发性高血压、心绞痛。

物化性质展开↓

沸点：
511.6ºC at 760 mmHg
闪点：
263.2ºC
其它信息：

从乙酸乙酯得白色结晶，熔点203～205℃。

安全信息展开↓

海关代码：
2933790090

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX6038500
CHEMICAL NAME :
1(2H)-Isoquinolinone, 4-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy-2-me thyl-,
CAS REGISTRY NUMBER :
62774-96-3
LAST UPDATED :
199706
DATA ITEMS CITED :
12
MOLECULAR FORMULA :
C17-H24-N2-O3.Cl-H
MOLECULAR WEIGHT :
340.89

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
145 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 34,499,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
29 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 34,499,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
169 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 34,499,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
38 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 34,499,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1290 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 34,499,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
557 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 34,499,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1219 mg/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 34,499,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
74300 ug/kg
TOXIC EFFECTS :
Sense Organs and Special Senses (Eye) - ptosis Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 34,499,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
3369 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - cyanosis Gastrointestinal - nausea or vomiting
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 34,505,1987 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Mammal - dog
DOSE/DURATION :
9100 mg/kg/13W-I
TOXIC EFFECTS :
Cardiac - other changes Endocrine - other changes Blood - changes in serum composition (e.g. TP, bilirubin, cholesterol)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 34,505,1987 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
250 mg/kg
SEX/DURATION :
female 17-21 day(s) after conception
TOXIC EFFECTS :
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 35,31,1988
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
DOSE :
1300 mg/kg
SEX/DURATION :
female 6-18 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
OYYAA2 Oyo Yakuri. Pharmacometrics. (Oyo Yakuri Kenkyukai, CPO Box 180, Sendai 980-91, Japan) V.1- 1967- Volume(issue)/page/year: 35,49,1988
毒理学数据：

急性毒性LD50雄、雌小鼠，雄、雌大鼠(mg/kg)：1393,1290,145,188口服；1219,1245,1776,169皮
下注射；578,557,39.5,29.2腹腔注射；74.3,104.7,75.8,38.1静脉注射。

海关数据查看详细

中国海关编码：2933790090

概述：
2933790090 其他内酰胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:9.0% 普通关税:20.0%
申报要素：
品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：
2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. 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：86.22

2、  摩尔体积（cm3/mol）：260.0

3、  等张比容（90.2K）：688.3

4、  表面张力（dyne/cm）：49.0

5、  极化率（10-24cm3）：34.18

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