盐酸艾司洛尔

盐酸艾司洛尔 基本信息
CAS号 81161-17-3 分子式 C16H26ClNO4
分子量 331.83500 精确质量  331.15500
PSA  67.79000 LogP  2.72280

基本信息 展开↓

CAS号:
81161-17-3
3D弹球模型:
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分子式:
C16H26ClNO4
分子量:
331.83500
中文名称:
盐酸艾司洛尔
英文名称:
esmolol hydrochloride
中文别名:
盐酸艾司洛尔;
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 hydrochloride;
EsmololHclC16H25No4Hcl;
Brevibloc;
Esmolol hydrochloride;
ESMOLOL HCL;
Esmolol HCl;
EsMolol Hcl API
精确分子量/精确质量:
331.15500
极性分子表面积/PSA:
67.79000
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。
InChI:
InChI=1/C16H25NO4.ClH/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3;/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3;1H

物化性质展开↓

外观与性状:
白色固体
密度:
1.026
熔点:
48-50ºC
沸点:
430.2ºC at 760 mmHg
闪点:
214ºC
水溶解性:
Slightly soluble

安全信息展开↓

海关代码:
2922199090
危险类别码:
R52/53
安全说明:
61

合成路线查看所有的合成路线

  • 81147-94-6

    4-(环氧乙烷甲氧基)-苯丙酸甲酯

  • +

  • 75-31-0

    异丙胺

  • ~53%

  • 81161-17-3

    盐酸艾司洛尔

  • 5597-50-2

    对羟基苯丙酸甲酯

  • 81161-17-3

    盐酸艾司洛尔

  • 501-97-3

    对羟基苯丙酸

  • 81161-17-3

    盐酸艾司洛尔

毒理性展开↓

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

海关数据查看详细

中国海关编码:2922199090

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
摘要/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%

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  • 81147-94-6

    4-(环氧乙烷甲氧基)-苯丙酸甲酯

  • 75-31-0

    异丙胺

  • 501-97-3

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  • 5597-50-2

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