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23239-51-2 分子结构
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4-[(1S,2R)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol hydrochloride

ChemBase编号:73068
分子式:C17H22ClNO3
平均质量:323.81448
单一同位素质量:323.12882125
SMILES和InChIs

SMILES:
c1c(ccc(c1)[C@@H]([C@H](NCCc1ccc(cc1)O)C)O)O.Cl
Canonical SMILES:
Oc1ccc(cc1)CCN[C@@H]([C@H](c1ccc(cc1)O)O)C.Cl
InChI:
InChI=1S/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H/t12-,17-;/m1./s1
InChIKey:
IDLSITKDRVDKRV-JSUROZADSA-N

引用这个纪录

CBID:73068 http://www.chembase.cn/molecule-73068.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-[(1S,2R)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol hydrochloride
IUPAC传统名
4-[(1S,2R)-1-hydroxy-2-{[2-(4-hydroxyphenyl)ethyl]amino}propyl]phenol hydrochloride
别名
DU 21220; Miolene; NSC 291565
Ritodrine hydrochloride
CAS号
23239-51-2
PubChem SID
162037988
PubChem CID
3040551

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
Selleck Chemicals
S2533 external link 加入购物车 请登录
数据来源 数据ID
PubChem 3040551 external link

理论计算性质

理论计算性质

JChem
Acid pKa 9.154391  质子受体
质子供体 LogD (pH = 5.5) -0.4678472 
LogD (pH = 7.4) 0.5068871  Log P 1.8155849 
摩尔折射率 83.0167 cm3 极化性 32.40149 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 

分子性质

分子性质

安全信息 产品相关信息 生物活性(PubChem)
保存条件
-20°C expand 查看数据来源
成盐信息
hydrochloride expand 查看数据来源

详细说明

详细说明

Selleck Chemicals Selleck Chemicals
Selleck Chemicals -  S2533 external link
Research Area: hydrochloride
Biological Activity:
Ritodrine hydrochloride (DU 21220; Miolene; NSC 291565; Pre-Par) is a hydrochloride salt of ritodrine which is a β-2 adrenergic receptor agonist. Ritodrine hydrochloride is an adrenergic receptor stimulant. Ritodrine hydrochloride (DU 21220; Miolene; NSC 291565; Pre-Par) can effectively inhibit uterine smooth muschle contraction. Ritodrine hydrochloride (DU 21220; Miolene; NSC 291565; Pre-Par) gives priority to act on the adrenergic receptors on the uterine smooth muscle through membrane-mediated effects of uterine smooth muscle cells, and uterine smooth muscle cells β2-adrenegic receptor to activate cell membrane adenylate cyclase to adenosine triphosphate into cyclic adenosine monophosphate (cAMP), leading to increased intracellular cAMP, thus reducing myosin light chain kinase activity in reducing intracellular calcium concentration in the same time, reduce the myosin actin units of calcium sensitivity of contraction, so that uterine muscle relaxation, thereby inhibiting contraction of the uterus, extending time to pregnancy. Ritodrine hydrochloride (DU 21220; Miolene; NSC 291565; Pre-Par) is used to stop premature labor. [1][2]References on Ritodrine HCl (Yutopar)[] Indian J Med Res, February 2005, 121:120-127

参考文献

参考文献

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  • Li X et al. Indian J Med Res. 2005 Feb; 121(2)
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专利

专利

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