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7683-59-2 分子结构
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4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol

ChemBase编号:935
分子式:C11H17NO3
平均质量:211.25758
单一同位素质量:211.12084341
SMILES和InChIs

SMILES:
OC(CNC(C)C)c1cc(O)c(O)cc1
Canonical SMILES:
CC(NCC(c1ccc(c(c1)O)O)O)C
InChI:
InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
InChIKey:
JWZZKOKVBUJMES-UHFFFAOYSA-N

引用这个纪录

CBID:935 http://www.chembase.cn/molecule-935.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol
IUPAC传统名
(+-)-isoproterenol
isoproterenol
商标名
Aerolone
Aleudrin
Aleudrine
Aludrin
Aludrine
Asiprenol
Asmalar
Assiprenol
Bellasthman
Bronkephrine
Euspiran
Isadrine
Isonorene
Isonorin
Isorenin
Isuprel
Isuprel Mistometer
Isupren
Medihaler-Iso
Neo-Epinine
Neodrenal
Norisodrine
Norisodrine Aerotrol
Novodrin
Proternol
Respifral
Saventrine
Vapo-Iso
别名
IPA
Epinephrine Isopropyl Homolog
Isopropyladrenaline
Isopropylarterenol
Isopropylnoradrenaline
Isopropylnorepinephrine
Isoproterenol Chloride
Isoproterenol HCl
L-Isopropylnoradrenaline
L-Isoproterenol
N-Isopropylnoradrenaline
N-Isopropylnorepinephrine
Isopropydrin
Isoprenalin
Isoprenaline
Isoproterenol
Isoprenaline
CAS号
7683-59-2
PubChem SID
46507323
160964398
PubChem CID
3779
ATC码
R03CB01
R03AB02
C01CA02
CHEMBL
434
Chemspider ID
3647
DrugBank ID
DB01064
IUPHAR配体索引
536
KEGG ID
D08090
美国药典/FDA物质标识码
L628TT009W
维基百科标题
Isoprenaline
Medline Plus
a601236

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID 价格

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 9.814519  质子受体
质子供体 LogD (pH = 5.5) -2.1009066 
LogD (pH = 7.4) -0.9903411  Log P 0.24020568 
摩尔折射率 58.3977 cm3 极化性 22.887892 Å3
极化表面积 72.72 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P -0.27  LOG S -1.56 
溶解度 5.86e+00 g/l 

分子性质

分子性质

理化性质 药理学性质 生物活性(PubChem)
疏水性(logP)
1.4 expand 查看数据来源
给药途径
inhaled 80-120μg expand 查看数据来源
法定药品分级
Rx-only expand 查看数据来源
妊娠期药物分类
C expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Wikipedia Wikipedia
DrugBank -  DB01064 external link
Item Information
Drug Groups approved
Description Isopropyl analog of epinephrine; beta-sympathomimetic that acts on the heart, bronchi, skeletal muscle, alimentary tract, etc. It is used mainly as bronchodilator and heart stimulant. [PubChem]
Indication For the treatment of mild or transient episodes of heart block that do not require electric shock or pacemaker therapy also used in management of asthma and chronic bronchitis
Pharmacology Isoproterenol is a relatively selective beta2-adrenergic bronchodilator. Isoproterenol is indicated for the relief of bronchospasm associated with chronic obstructive pulmonary disease. The pharmacologic effects of beta adrenergic agonist drugs, including Isoproterenol, are at least in part attributable to stimulation through beta adrenergic receptors of intracellular adenyl cyclase, the enzyme which catalyzes the conversion of adenosine triphosphate (ATP) to cyclic- 3',5'- adenosine monophosphate (c-AMP). Increased c-AMP levels are associated with relaxation of bronchial smooth muscle and inhibition of release of mediators of immediate hypersensitivity from cells, especially from mast cells.
Affected Organisms
Humans and other mammals
Elimination Excretion following inhalation administration is primarily renal and the major metabolite is the sulfate conjugate of isoproterenol.
External Links
Wikipedia
RxList
Drugs.com

参考文献

参考文献

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专利

专利

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互联网资源

互联网资源

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