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1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl- cas no: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;

Identification
Name1H-Purine-2,6-dione,3,9-dihydro-1,3-dimethyl-
CAS58-55-9
Synonyms1H-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 FormulaC7H8N4O2
Molecular Weight180.16
Chemical Properties
Appearancewhite to off-white crystalline powder
refractive index1.737
storage temp2-8°C
Globally Harmonized System of Classification adn Labelling of Chemicals(GHS)
Hazardclass6.1(b)
Safety Data

Hazard Xn:Harmful
Risk R22
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


Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
child TDLo intramuscular 50mg/kg (50mg/kg) BEHAVIORAL: EXCITEMENT

CARDIAC: CHANGE IN RATE

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Journal of Pediatrics. Vol. 90, Pg. 827, 1977.
child TDLo oral 10mg/kg (10mg/kg) BEHAVIORAL: HEADACHE

CARDIAC: PULSE RATE INCREASE WITHOUT FALL IN BP

GASTROINTESTINAL: NAUSEA OR VOMITING
Southern Medical Journal. Vol. 78, Pg. 1000, 1985.
guinea pig LD50 oral 183mg/kg (183mg/kg) ? United States Patent Document. Vol. #4089959,
guinea pig LDLo subcutaneous 170mg/kg (170mg/kg) ? "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 168, 1959.
human TDLo intravenous 10mg/kg/D (10mg/kg) BEHAVIORAL: TREMOR

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

GASTROINTESTINAL: NAUSEA OR VOMITING
JAMA, Journal of the American Medical Association. Vol. 235, Pg. 1983, 1976.
human TDLo oral 5mg/kg (5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 92, 1969.
human TDLo rectal 6mg/kg (6mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 92, 1969.
human TDLo subcutaneous 3500ug/kg (3.5mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

GASTROINTESTINAL: NAUSEA OR VOMITING
"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 92, 1969.
infant TDLo oral 348mg/kg/4D-I (348mg/kg) BEHAVIORAL: ANOREXIA (HUMAN

BEHAVIORAL: IRRITABILITY

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Pediatric Pharmacology. Vol. 5, Pg. 209, 1985.
man LDLo intravenous 3429ug/kg (3.429mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: CYANOSIS

GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
JAMA, Journal of the American Medical Association. Vol. 136, Pg. 397, 1948.
man LDLo parenteral 12mg/kg (12mg/kg) ? Deutsches Archiv fuer Klinische Medizin. Vol. 80, Pg. 510, 1904.
man TDLo oral 66mg/kg (66mg/kg) CARDIAC: CHANGE IN RATE

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

GASTROINTESTINAL: NAUSEA OR VOMITING
American Journal of Emergency Medicine. Vol. 11, Pg. 609, 1993.
man TDLo oral 66mg/kg (66mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

GASTROINTESTINAL: CONTRACTION (ISOLATED TISSUE)

GASTROINTESTINAL: NAUSEA OR VOMITING
Medical Journal of Australia. Vol. 156, Pg. 512, 1992.
man TDLo oral 86mg/kg (86mg/kg) CARDIAC: CHANGE IN RATE

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Annals of Emergency Medicine. Vol. 20, Pg. 1143, 1991.
man TDLo oral 129mg/kg (129mg/kg) ENDOCRINE: HYPERGLYCEMIA Annals of Internal Medicine. Vol. 104, Pg. 284, 1986.
mouse LD50 intramuscular 271mg/kg (271mg/kg) ? Drugs in Japan Vol. 6, Pg. 34, 1982.
mouse LD50 intraperitoneal 70mg/kg (70mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD British Journal of Pharmacology. Vol. 73, Pg. 887, 1981.
mouse LD50 intravenous 136mg/kg (136mg/kg) ? Pharmaceutica Acta Helvetiae. Vol. 48, Pg. 133, 1973.
mouse LD50 oral 235mg/kg (235mg/kg) ? Arzneimittel-Forschung. Drug Research. Vol. 45, Pg. 569, 1995.
mouse LD50 rectal 166mg/kg (166mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Pediatric Research. Vol. 11, Pg. 783, 1977.
mouse LD50 subcutaneous 138mg/kg (138mg/kg) ? Arzneimittel-Forschung. Drug Research. Vol. 3, Pg. 328, 1953.
mouse LD50 unreported 400mg/kg (400mg/kg) ? United States Patent Document. Vol. #4767763,
rabbit LD50 intravenous 150mg/kg (150mg/kg) ? Drugs in Japan Vol. 6, Pg. 34, 1982.
rabbit LD50 oral 350mg/kg (350mg/kg) ? "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 865, 1986.
rat LD50 intraperitoneal 150mg/kg (150mg/kg) ? United States Patent Document. Vol. #4120947,
rat LD50 oral 225mg/kg (225mg/kg) ? United States Patent Document. Vol. #4089959,
rat LD50 unreported 300mg/kg (300mg/kg) ? United States Patent Document. Vol. #4767763,
rat LDLo intravenous 240mg/kg (240mg/kg) ? "Drug Dosages in Laboratory Animals - A Handbook," Rev. ed., Barnes, C.D., and L.G. Eltherington, Berkeley, Univ. of California Press, 1973Vol. -, Pg. 259, 1973.
rat LDLo subcutaneous 325mg/kg (325mg/kg) ? European Patent Application. Vol. #0134762,
women LDLo oral 130mg/kg (130mg/kg) ? Annals of Internal Medicine. Vol. 101, Pg. 457, 1984.
women TDLo intravenous 120mg/kg/3D-C (120mg/kg) CARDIAC: EKG CHANGES NOT DIAGNOSTIC OF ABOVE Drug Intelligence and Clinical Pharmacy. Vol. 16, Pg. 877, 1982.
women TDLo oral 5mg/kg (5mg/kg) BEHAVIORAL: COMA

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

GASTROINTESTINAL: NAUSEA OR VOMITING
British Medical Journal. Vol. 288, Pg. 1497, 1984.
women TDLo oral 108mg/kg (108mg/kg) ENDOCRINE: HYPERGLYCEMIA American Journal of Emergency Medicine. Vol. 3, Pg. 408, 1985.
women TDLo oral 281mg/kg/4W (281mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) British Medical Journal. Vol. 281, Pg. 1322, 1980.
women TDLo oral 388mg/kg (388mg/kg) BEHAVIORAL: COMA

CARDIAC: CHANGE IN RATE
Annals of Emergency Medicine. Vol. 20, Pg. 1135, 1991.

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