| Identification | More | [Name]
7-(2-HYDROXYETHYL)THEOPHYLLINE | [CAS]
519-37-9 | [Synonyms]
1,3-DIMETHYL-7-[2-HYDROXYETHYL]-XANTHINE
1,3-DIMETHYL-7-(BETA-HYDROXYETHYL)XANTHINE
7-(2-HYDROXYETHYL)THEOPHYLLINE
7-(A-HYDROXYETHYL)THEOPHYLLINE
7-(BETA-HYDROXYETHYL)THEOPHYLLINE
BETA-HYDROXYETHYLTHEOPHYLLINE
BIOPHYLLINE
ETOFYLLINE
THEOPHYLLINE, 7-(BETA-HYDROXYETHYL)
1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-
3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione
3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1h-purine-6-dione
7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-(2-Hydroxyethyl)-1,3-dimethylxanthine
7-(2-hydroxyethyl)-theophyllin
7-(Hydroxyethyl)theophylline
7-Theophyllineethanol
Aethophyllinum
Ascorphylline
b-hydroxyethyltheophylline | [EINECS(EC#)]
208-269-8 | [Molecular Formula]
C9H12N4O3 | [MDL Number]
MFCD00055055 | [Molecular Weight]
224.22 | [MOL File]
519-37-9.mol |
| Chemical Properties | Back Directory | [Melting point ]
163°C | [Boiling point ]
365.61°C (rough estimate) | [density ]
1.3055 (rough estimate) | [refractive index ]
1.6300 (estimate) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
H2O: Solutions may be stored for several days at 4°C.soluble
| [form ]
solid
| [pka]
14.48±0.10(Predicted) | [color ]
white
| [Water Solubility ]
2.991g/L(temperature not stated) | [Merck ]
3878 | [InChI]
1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3 | [InChIKey]
NWPRCRWQMGIBOT-UHFFFAOYSA-N | [SMILES]
CN1C(=O)N(C)c2ncn(CCO)c2C1=O | [CAS DataBase Reference]
519-37-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S36:Wear suitable protective clothing .
S36/37:Wear suitable protective clothing and gloves .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [RTECS ]
XH5850000
| [HS Code ]
2939590000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
White Solid | [Originator]
Duolip,Merckle,W. Germany,1981 | [Uses]
Useful synthetic intermediate in the preparation of 7-substituted xanthines. | [Uses]
An inhibitor of 3’,5’-Cyclic Nucleotide Phosphodiesterase. Therapeutically, this compound has diuretic, muscle relaxant, bronchial dilation and CNS stimulant activities. | [Uses]
Cardiac analeptic;Phosphodiesterase inhibitor | [Definition]
ChEBI: 7-(2-hydroxyethyl)-1,3-dimethylpurine-2,6-dione is an oxopurine. | [Manufacturing Process]
107.3 g (0.5 mol) 2-(p-chlorophenoxy)isobutyric acid and 56.0 g (0.25 mol)
7-hydroxyethyltheophylline were suspended together in 250 ml xylene. They
were heated together for 15 hours in a water separator following the addition
of 1.5 g p-toluenesulfonic acid. The solution was next agitated with dilute
sodium bicarbonate solution (0.5 mol NaHCO3), water washed and evaporated
in a rotary evaporator.
The residue was then crystallized from isopropanol, yielding 58.0 g (55%
yield) of 1-(7-theophyllinyl)-2-ethyl[2-(p-chlorophenoxy)-isobutyrate] . The
compound had a melting point of 131°C to 132°C. | [Therapeutic Function]
Antihyperlipidemic | [Biochem/physiol Actions]
Pharmacological profile similar to theophylline. | [storage]
Store at -20°C |
|
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Sigma-Aldrich
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