4-[(1R)-1-hydroxy-2-[(propan-2-yl)amino]ethyl]benzene-1,2-diol hydrochloride

• ChemBase编号: 133386
• 分子式: C11H18ClNO3
• 平均质量: 247.71852
• 单一同位素质量: 247.09752112
• SMILES: CC(C)NC[C@@H](c1ccc(c(c1)O)O)O.Cl
• Canonical SMILES: CC(NC[C@@H](c1ccc(c(c1)O)O)O)C.Cl
• InChI: InChI=1S/C11H17NO3.ClH/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;/h3-5,7,11-15H,6H2,1-2H3;1H/t11-;/m0./s1
• InChIKey: IROWCYIEJAOFOW-MERQFXBCSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(1R)-1-hydroxy-2-[(propan-2-yl)amino]ethyl]benzene-1,2-diol hydrochloride
• IUPAC传统名: (-)-isoproterenol hydrochloride
• 别名: (-)-异丙去甲肾上腺素 盐酸盐; (-)-N-Isopropyl-L-noradrenaline hydrochloride; (R)-3,4-Dihydroxy-α-(isopropylaminomethyl)benzyl alcohol hydrochloride; (-)-Isoproterenol hydrochloride; (-)-Isoprenaline hydrochloride

登记号

• CAS号: 5984-95-2
• MDL号: MFCD00064548
• Beilstein号: 6077193
• PubChem SID: 162227663; 24278495
• PubChem CID: 656783

理论计算性质

• Acid pKa: 9.814519
• 质子受体: 4
• 质子供体: 4
• LogD (pH = 5.5): -2.1009066
• LogD (pH = 7.4): -0.9903411
• Log P: 0.24020568
• 摩尔折射率: 58.3977 cm^3
• 极化性: 22.887892 Å^3
• 极化表面积: 72.72 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 175 °C (dec.)(lit.)

安全信息

• RTECS编号: DO1926000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: -20°C

药理学性质

• 相关基因信息: human ... ADRB2(154)

产品相关信息

• 纯度: ≥98.0% (TLC)
• 线性分子式: 3,4-(HO)2C6H3CH(OH)CH2NHCH(CH3)2·HCl

详细说明

Sigma Aldrich - I6504

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
β-adrenoceptor agonist; increases cytosolic cAMP.

Sigma Aldrich - 59648

Biochem/physiol Actions
β-adrenoceptor agonist; increases cytosolic cAMP.
Other Notes
A β-adrenergic agonist. Regulation of protein phosphorylation by inotropic agents in isolated rat myocardial cells1