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| CAS No.: | 72332-33-3 |
|---|---|
| Name: | (R*,S*)-(-)-8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone |
| Molecular Structure: | |
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|
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| Formula: | C16H22N2O3 |
| Molecular Weight: | 290.35748 |
| Synonyms: | 2(1H)-Quinolinone,8-hydroxy-5-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-, (R*,S*)-(?à)-;(R,S)-Procaterol;2(1H)-Quinolinone,8-hydroxy-5-[1-hydroxy-2-[(1-methylethyl)amino]butyl]-, (R*,S*)-;Procaterol; |
| EINECS: | 276-590-0 |
| Density: | 1.191 g/cm3 |
| Melting Point: | 170-173?°C(lit.) |
| Boiling Point: | 539.5 °C at 760 mmHg |
| Flash Point: | 280.1 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | R22; R36/37/38 |
| PSA: | 85.35000 |
| LogP: | 2.43460 |
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Specification
The IUPAC name is 8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one .With the CAS registry number 72332-33-3 and EINECS 276-590-0, it is also named as (r*,s*)-(-)-8-hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1h)-quinolinone; 2(1h)-quinolinone,8-hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-,(r*,;8-hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1h)-quinolinone(r*,s;s*)-(+-)-. The classification codes are adrenergic agents, adrenergic agonists, adrenergic beta-agonists, anti-asthmatic agents, autonomic agents, bronchodilator agents, drug/therapeutic agent, neurotransmitter agents, peripheral nervous system agents, respiratory system agents, sympathomimetics.
Properties of Procaterol:(1)Index of Refraction: 1.58; (2)Molar Refractivity: 81.15 cm3; (3)Molar Volume: 243.6 cm3; (4)Polarizability: 32.17×10-24cm3; (5)Surface Tension: 49.5 dyne/cm; (6)Density: 1.191 g/cm3; (7)Flash Point: 280.1 °C; (8)Enthalpy of Vaporization: 85.98 kJ/mol; (9)Boiling Point: 539.5 °C at 760 mmHg; (10)Vapour Pressure: 1.79E-12 mmHg at 25°C. It should be note that it is a long-acting beta-2-adrenergic receptor agonist. It is a potent bronchodilator that may be administered orally or by aerosol inhalation.
You can convert the following datas into its molecular structure:
1.SMILES: CCC(C(C1=C2C=CC(=O)NC2=C(C=C1)O)O)NC(C)C
2. InChI:InChI=1S/C16H22N2O3/c1-4-12(17-9(2)3)16(21)11-5-7-13(19)15-10(11)6-8-14(20)18-15/h5-9,12,16-17,19,21H,4H2,1-3H3,(H,18,20)
Procaterol is a short-acting β2-adrenergic receptor agonist, which can be used for the treatment of asthma. The drug is readily oxidated in the presence of moisture and air, making it unsuitable for therapeutic use by inhalation. It has never been filed for FDA evaluation in the United States, where it is not marketed.
The following is the toxicity data which has been tested:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 320mg/kg (320mg/kg) | Shenyang Yaoxueyuan Xuebao. Journal of Shenyang College of Pharmacy. Vol. 3, Pg. 259, 1986. |