3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride

• ChemBase编号: 73208
• 分子式: C9H14ClNO2
• 平均质量: 203.66596
• 单一同位素质量: 203.07130637
• SMILES: c1(cccc(c1)[C@H](CNC)O)O.Cl
• Canonical SMILES: CNC[C@@H](c1cccc(c1)O)O.Cl
• InChI: InChI=1S/C9H13NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,9-12H,6H2,1H3;1H/t9-;/m0./s1
• InChIKey: OCYSGIYOVXAGKQ-FVGYRXGTSA-N

名称和登记号

名称

• IUPAC标准名: 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol hydrochloride
• IUPAC传统名: phenylephrine hydrochloride
• 别名: 盐酸去氧肾上腺素; (R)-(-)-3-羟基-α-(甲氨基甲基)苄醇 盐酸盐; (R)-(-)-1-(3-羟基苯基)-2-甲氨基乙醇 盐酸盐; (R)-(-)-去氧肾上腺素 盐酸盐; Phenylephrine hydrochloride; (αR)-3-Hydroxy-α-[(methylamino)methyl]benzenemethanol Hydrochloride; (-)-m-Hydroxy-α-[(methylamino)methyl]benzyl Alcohol Hydrochloride; Isophrin Hydrochloride; Levophenylephrine Hydrochloride; Lexatol; M-Sympatol; (R)-Phenylephrine Hydrochloride; (R)-(-)-1-(3-Hydroxyphenyl)-2-methylaminoethanol hydrochloride; (R)-(-)-3-Hydroxy-α-(methylaminomethyl)benzyl alcohol hydrochloride; Phenylephrini hydrochloridum; (R)-(-)-Phenylephrine hydrochloride; L-PHENYLEPHRINE HYDROCHLORIDE; L-PHENYLEPHRINE HYDROCHLORIDE USP GRADE

登记号

• CAS号: 61-76-7
• EC号: 200-517-3
• MDL号: MFCD00012605
• Beilstein号: 4158948
• PubChem SID: 24898912; 24889470; 162038128; 24277799
• PubChem CID: 5284443

理论计算性质

• Acid pKa: 9.067801
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): -2.5509999
• LogD (pH = 7.4): -1.3510551
• Log P: -0.070160724
• 摩尔折射率: 47.2494 cm^3
• 极化性: 18.594257 Å^3
• 极化表面积: 52.49 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Ethanol; Methanol
• 外观: powder; White Solid
• 熔点: 140-145 °C; 142-145°C; 143-145 °C(lit.)
• 比旋光度: [α]20/D -45±2°, c = 5% in H2O

安全信息

• 保存条件: -20°C; Hygroscopic, -20°C Freezer, Under Inert Atmosphere; Room Temperature (15-30°C)
• RTECS编号: DO7525000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-36/37/38; R:22
• 安全公开号: 26-36; S:36/37/39
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302-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, Faceshields, Gloves
• 保存温度: 2-8°C

药理学性质

• 作用靶点: adrenergic receptor
• 相关基因信息: human ... ADRA1A(148), ADRA1B(147), ADRA1D(146)

产品相关信息

• 纯度: ≥98.0% (CHN); 99%
• 级别: analytical standard; Ph Eur; purum; USP
• 成盐信息: hcl
• 包装: vial of 250 mg
• 药典: testing & handling conforms to Pharmacopeia
• Pharmacopeia Traceability: traceable to BP 284; traceable to PhEur P1250000; traceable to USP 1533002
• 线性分子式: HOC6H4CH(CH2NHCH3)OH·HCl

详细说明

MP Biomedicals - 05216518

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02195380

Hydrochloride
Purity: 99%
α₁ -adrenergic agonist

Selleck Chemicals - S2569

Research Area: cancer
Biological Activity:
Phenylephrine hydrochloride used primarily as a decongestant, as an agent to dilate the pupil, and to increase blood pressure. Phenylephrine has recently been marketed as a substitute for pseudoephedrine.

Sigma Aldrich - P6126

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
α1-adrenoceptor agonist.
包装
5, 10, 25, 50, 100 g in glass bottle

Sigma Aldrich - 91312

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.

Sigma Aldrich - 11529

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.

Sigma Aldrich - P8155

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Biochem/physiol Actions
α-Adrenergic agonist
包装
Supplied in amber screw-cap vials

Toronto Research Chemicals - P320640

α-Adrenergic agonist. Mydriatic; decongestant.

参考文献

• Warren, M.R., et al.: J. Pharmacol. Exp. Ther., 86, 284 (1946)
• Gaglia, C.A., et al.: Anal. Profiles Drug Subs., 3, 483 (1974)