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1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-(CAS No. 58-55-9)

1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl- C7H8N4O2 (cas 58-55-9) Molecular Structure

58-55-9 Structure

Identification and Related Records

【Name】
1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-
【CAS Registry number】
58-55-9
【Synonyms】
1H-Purine-2,6-dione,3,7-dihydro-1,3-dimethyl- (9CI)
Theophylline (8CI)
1,3-Dimethylxanthine
Accurbron
Aerobin
Aerolate
Afonilm
Apnecut
Armophylline
Asmax
Austyn
Bilordyl
Brochoretard
Bronkodyl
Cetraphylline
Chronophyllin
Diffumal
Duraphyl
Egifilin
Elixophyllin
Etheophyl
Euphylong
LaBID
Lanophyllin
Nuelin
Optiphyllin
Parkophyllin
Physpan
Pro-Vent
PulmiDur
Pulmo-Timelets
Quibron T/SR
Respbid
Respicur
Solosin
SomophyllinCRT
Somophyllin T
Spophyllin retard
Sustaire
Talotren
Telb-DS
Telbans
Telbans Dry Syrup
Teonova
Theo 24
Theo-Dur
Theo-Sav
Theobid
Theobid Duracap
Theoclear
Theodel
Theodrip
Theodur Dry Syrup
Theograd
Theolair
Theona P
Theopek
Theoplus
Theostat
Theotard
Theovent
Throphylline
Unicontin CR
Unilong
Uniphyl
Uniphyllin
Xanthium
Zydus
【EINECS(EC#)】
200-385-7
【Molecular Formula】
C7H8N4O2 (Products with the same molecular formula)
【Molecular Weight】
180.16
【Inchi】
InChI=1/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
【MOL File】
58-55-9.mol

Chemical and Physical Properties

【Appearance】
white to off-white crystalline powder
【Density】
1.465 g/cm3
【Melting Point】
270-274℃
【Boiling Point】
454.1 °C at 760 mmHg
【Refractive Index】
1.737
【Flash Point】
228.4 °C
【Water】
8.3 g/L (20℃)
【Solubilities】
Soluble in hot water, alkaline solution.
【Color/Form】
white
【Stability】
Stable. Incompatible with strong oxidizing agents.
【Storage temp】
2-8°C

Safety and Handling

【Hazard Codes】
Xn:Harmful
【Risk Statements】
R22
【Safety Statements 】
7-16-36/37-45-36-26
【HazardClass】
6.1(b)
【Safety】

Human poison by ingestion, parenteral, intravenous, and rectal routes. Experimental poison by multiple routes. An experimental teratogen. Human systemic effects: coma, convulsions or effect on seizure threshold, cyanosis, EKG changes, fever and other metabolic effects, heart arrhythmias, heart rate change, hyperglycemia, metabolic acidosis, nausea or vomiting, potassium-level changes, respiratory stimulation, salivary gland changes, somnolence, tremor. Experimental reproductive effects. Human mutation data reported. Used as a diuretic, cardiac stimulant, smooth muscle relaxant, and to treat asthma. When heated to decomposition it emits toxic fumes of NOx.
Hazard Codes:?Xn,T,F,Xi
Risk Statements: 22-39/23/24/25-23/24/25-11-36/37/38?
R22:Harmful if swallowed.
R39:Danger of very serious irreversible effects.?
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.?
R11:Highly flammable.?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 7-16-36/37-45-36-26?
S7:Keep container tightly closed.?
S16:Keep away from sources of ignition.?
S36/37:Wear suitable protective clothing and gloves.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)?
S36:Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 1
RTECS of Theophylline (CAS NO.58-55-9): XH3850000

【PackingGroup 】
III
【Transport】
UN 2811
【Specification】

?Theophylline (CAS NO.58-55-9), its Synonyms are Theophylline anhydrous ; 1,3-Dimethylxanthine ; 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione ; Acet-theocin ; Aerolate ; Aerolate III ; Armophylline ; Lanophyllin ; Liquophylline ; Maphylline ; Medaphyllin ; Pseudotheophylline ; Purine-2,6(1H,3H)-dione, 1,3-dimethyl- . It is odorless white crystalline powder and bitter taste.

【Report】

Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Use and Manufacturing

【Usage】

Medication (vet).

Biomedical Effects and Toxicity

【Biological Activity】
Bronchodilator, anti-inflammatory and immunomodulator. Antagonizes adenosine receptors and is a weak non-selective inhibitor of phosphodiesterases (PDEs).

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