81161-17-3

• 常用中文名：盐酸艾司洛尔
• 常用英文名：Esmolol hydrochloride
• CAS号：81161-17-3
• 分子式：C₁₆H₂₆ClNO₄
• 分子量：331.835
• 相关类别： 原料药 循环系统用药 抗心律失常药
• 发布时间：2018-04-08 08:00:00
• 更新时间：2024-01-02 16:22:26
• Esmolol盐酸盐是一种β肾上腺素受体抑制剂。

名称

• 中文名: 盐酸艾司洛尔
• 英文名: esmolol hydrochloride
• 中文别名: 4-{[3-(1-甲基乙基氨基)-2-羟基]丙氧基}苯丙酸甲酯盐酸盐; 半水盐酸阿扑吗啡
• 英文别名: esmolol hcl; Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester, hydrochloride (1:1); Esmolol Hydrochloride; EsmololHclC16H25No4Hcl; 3-(4-{2-hydroxy-3-[(1-méthyléthyl)amino]propoxy}phényl)propanoate de méthyle chlorhydrate; Methyl-3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoathydrochlorid; methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride (1:1); benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-, methyl ester, hydrochloride; MFCD00941432; methyl 3-(4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}phenyl)propanoate hydrochloride; Methyl 3-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}propanoate hydrochloride; UNII:V05260LC8D; Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride (1:1); Methyl 3-{4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl}propanoate hydrochloride; Brevibloc; Methyl-3-(4-{2-hydroxy-3-[(1-methylethyl)amino]propoxy}phenyl)propanoathydrochlorid; EsMolol Hcl API

物化性质

• 密度: 1.026
• 沸点: 430.2ºC at 760 mmHg
• 熔点: 48-50ºC
• 分子式: C₁₆H₂₆ClNO₄
• 分子量: 331.835
• 闪点: 214ºC
• 精确质量: 331.155029
• PSA: 67.79000
• LogP: 2.72280
• 外观性状: 白色固体
• 储存条件: −20°C
• 水溶解性: Slightly soluble

生物活性

• 描述: Esmolol盐酸盐是一种β肾上腺素受体抑制剂。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 肾上腺素能受体
  信号通路 >> 自噬 >> 自噬
  信号通路 >> 自噬 >> 自噬
  研究领域 >> 心血管疾病

毒性和生态

CHEMICAL IDENTIFICATION RTECS NUMBER : DA8346000 CHEMICAL NAME : Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, methyl ester, hydrochloride CAS REGISTRY NUMBER : 81161-17-3 LAST UPDATED : 199606 DATA ITEMS CITED : 6 MOLECULAR FORMULA : C16-H25-N-O4.Cl-H MOLECULAR WEIGHT : 331.88 HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human - man DOSE/DURATION : 775 ug/kg/14M-C TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold REFERENCE : DICPBB Drug Intelligence and Clinical Pharmacy. (POB 42435, Cincinnati, OH 45242) V.3- 1969- Volume(issue)/page/year: 22,484,1988 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 71 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,99,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 93 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,99,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Mammal - dog DOSE/DURATION : 32 mg/kg TOXIC EFFECTS : Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia Gastrointestinal - changes in structure or function of salivary glands REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,99,1985 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rabbit DOSE/DURATION : 40 mg/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,99,1985 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 560 mg/kg/14D-I TOXIC EFFECTS : Related to Chronic Data - death REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 3,99,1985

安全

• 符号: GHS07
• 信号词: Warning
• 危害声明: H319
• 警示性声明: P305 + P351 + P338
• 个人防护装备: Eyeshields;Gloves
• 危害码 (欧洲): Xi
• 风险声明 (欧洲): R52/53
• 安全声明 (欧洲): 61
• 危险品运输编码: NONH for all modes of transport
• WGK德国: -
• RTECS号: DA8346000
• 海关编码: 2922199090

合成路线

81147-94-6 75-31-0 ~53% 81161-17-3

文献：Yang, David J.; Oh, Chang-Sok; Kohanim, Saady; Yu, Dong-Fang; Mendez, Richard; Kim, E. Edmund Patent: US2009/238756 A1, 2009 ; Location in patent: Page/Page column 12-13 ;

501-97-3 ~% 81161-17-3

文献：Synthetic Communications, , vol. 42, # 5 p. 722 - 726

5597-50-2 ~% 81161-17-3

文献：Synthetic Communications, , vol. 42, # 5 p. 722 - 726

上下游产品

上游产品  4
81147-94-6 75-31-0 501-97-3 5597-50-2
下游产品  1
81148-15-4

海关

海关编码	2922199090
中文概述	2922199090. 其他氨基醇及其醚，酯和它们的盐（但含一种以上含氧基的除外）. 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: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
Summary	2922199090. other amino-alcohols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%