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盐酸地来洛尔(商品名降压乐)
- 基本信息
- 物化性质
- 毒理性
- 结构与计算化学
- 上游产品
盐酸地来洛尔(商品名降压乐) 基本信息
- 中文名称：
- 盐酸地来洛尔(商品名降压乐)
- 中文别名：
- 盐酸地来洛尔(商品名降压乐);
2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide,hydrochloride
- 英文名称：
- Benzamide,2-hydroxy-5-[(1R)-1-hydroxy-2-[[(1R)-1-methyl-3-phenylpropyl]amino]ethyl]-,hydrochloride (1:1)
- 英文别名：
- 2-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl]benzamide,hydrochloride;
(R,R)-Dilevalol.HCl;
2-hydroxy-5-[(1R)-1-hydroxy-2-{[(1R)-1-methyl-3-phenylpropyl]amino}ethyl]benzamide hydrochloride;
Dilevalol hydrochloride;
(R,R)-Dilevalol hydrochloride;
(-)-2-hydroxy-5-<(R)-1-hydroxy-2-<(R)-(1-methyl-3-phenylpropyl)amino>ethyl>benzamide hydrochloride;
(R,R)-5-(1-Hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)salicylamide hydrochloride;
Benzamide,2-hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)amino)ethyl)-,monohydrochloride,(R-(R*,R*));
(R-(R*))-2-hydroxy-5-{1-hydroxy-2-[(1-methyl-3-phenylpropyl)amino]ethyl}benzamide hydrochloride;
(R,R)-Labetalol hydrochloride;
Dilevalol HCl
- CAS No.：
- 75659-08-4
- 分 子 式：
- C19H24N2O3.ClH
- 分 子 量：
- 364.87
- 精确分子量：
- 364.15500
- PSA：
- 95.58000
- InChI：
- The Key: WQVZLXWQESQGIF-QRGZVCNKSA-N
- 分子结构式：
-
- SDS：
- 查看
盐酸地来洛尔(商品名降压乐) 物化性质
- 沸点：
- 552.7ºC at 760 mmHg
- 闪点：
- 288.1ºC
盐酸地来洛尔(商品名降压乐) 毒理性
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CV5376010
- CHEMICAL NAME :
- Benzamide,
2-hydroxy-5-(1-hydroxy-2-((1-methyl-3-phenylpropyl)am
ino)ethyl)-, monohydrochloride, (R-(R*,R*))-
- CAS REGISTRY NUMBER :
- 75659-08-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 12
- MOLECULAR FORMULA :
- C19-H24-N2-O3.Cl-H
- MOLECULAR WEIGHT :
- 364.91
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 :
- 1026 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
18,471,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 123 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
18,471,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1727 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
18,471,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 82 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor
Behavioral - convulsions or effect on seizure threshold
Gastrointestinal - changes in structure or function of salivary glands
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
18,471,1992
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1079 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: -,502,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1079 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: -,502,1990
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1148 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NIIRDN Drugs in Japan (Ethical Drugs). (Yakugyo Jiho Co., Ltd., Tokyo,
Japan) Volume(issue)/page/year: -,502,1990
** OTHER MULTIPLE DOSE TOXICITY DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 1800 mg/kg/30D-I
- TOXIC EFFECTS :
- Cardiac - changes in heart weight
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
18,471,1992
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 21600 mg/kg/13W-I
- TOXIC EFFECTS :
- Kidney, Ureter, Bladder - urine volume increased
Blood - changes in leukocyte (WBC) count
Biochemical - Enzyme inhibition, induction, or change in blood or tissue
levels - transaminases
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 21,6314,1987
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 80300 mg/kg/1Y-C
- TOXIC EFFECTS :
- Cardiac - changes in heart weight
Lungs, Thorax, or Respiration - changes in lung weight
Nutritional and Gross Metabolic - weight loss or decreased weight gain
- REFERENCE :
- FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E.
First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year:
18,471,1992
** REPRODUCTIVE DATA **
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 5400 mg/kg
- SEX/DURATION :
- female 17-22 day(s) after conception
lactating female 21 day(s) post-birth
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4
per # born alive)
Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight
gain)
Reproductive - Effects on Newborn - physical
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 21,3893,1987
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- DOSE :
- 5400 mg/kg
- SEX/DURATION :
- female 17-22 day(s) after conception
lactating female 21 day(s) post-birth
- TOXIC EFFECTS :
- Reproductive - Effects on Newborn - delayed effects
- REFERENCE :
- KSRNAM Kiso to Rinsho. Clinical Report. (Yubunsha Co., Ltd., 1-5, Kanda
Suda-Cho, Chiyoda-ku, KS Bldg., Tokyo 101, Japan) V.1- 1960-
Volume(issue)/page/year: 21,3893,1987
盐酸地来洛尔(商品名降压乐) 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值（XlogP）:无
2.氢键供体数量:5
3.氢键受体数量:4
4.可旋转化学键数量:8
5.互变异构体数量:7
6.拓扑分子极性表面积95.6
7.重原子数量:25
8.表面电荷:0
9.复杂度:385
10.同位素原子数量:0
11.确定原子立构中心数量:2
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:2
