{"ATC Code":["QR - Respiratory system","QR03 - Drugs for obstructive airway diseases","QR03D - Other systemic drugs for obstructive airway diseases","QR03DA - Xanthines","QR03DA04 - Theophylline","R - Respiratory system","R03 - Drugs for obstructive airway diseases","R03D - Other systemic drugs for obstructive airway diseases","R03DA - Xanthines","R03DA04","R03DA04 - Theophylline"],"Absorption, Distribution and Excretion":"Theophylline is rapidly and completely absorbed after oral administration in solution or immediate-release solid oral dosage form.","Adverse Effects":"Theophylline has a very narrow therapeutic window, and its interaction with various other drugs has led to the limitation of its use. The serum theophylline concentrations require monitoring directly to avoid toxicity as the adverse effects of theophylline are related to its plasma concentration and have been observed when plasma concentrations exceed 20 mg/L. Some patients have also experienced adverse effects at low plasma concentrations. The dose gradually increases until achieving therapeutic plasma concentrations. This approach reduces side effects.","Aliases":["1,3-Dimethylxanthine","Elixophyllin","Theophyllin","Theolair","Nuelin","Theophylline anhydrous","Elixophylline","Lanophyllin","Pseudotheophylline","Respbid","Solosin","Theocin","Theo-dur","Liquophylline","Optiphyllin","Parkophyllin","Theofol","Theograd","Acet-theocin","Slo-phyllin","Armophylline","Slo-bid","Doraphyllin","Elixicon","Maphylline","Medaphyllin","Teofyllamin","Theacitin","Theocontin","Theovent","Uniphyllin","Xantivent","Austyn","Elixex","Teolair","Uniphyl","Accurbron","Aerolate III","Bronkodyl","Euphylong","Theophyl-225","Aerolate","Duraphyl","Theobid","Quibron T/SR","Sustaire","Teofilina","Theochron","Asmax","Somophyllin-t","Theal tablets","Theophylline, anhydrous","Bronkodyl SR","Constant-T","Theoclair-SR","Theoclear LA","Quibron-T","Spophyllin retard","Theophyline","Theoclear 80","Theodel","Theostat 80","Theona P","Synophylate-L.A. Cenules","Theo-Dur-Sprinkle","Aquaphyllin","Elixomin","Theolixir","Theophyl","LaBID","Elixophyllin SR","Theophylline-SR","LASMA","Pro-vent","Somophyllin-CRT","3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione","Aerolate SR","Theophyl-SR","Uni-Dur","Theoclear-80","Quibron-T/SR","T-Phyl","Theoclear-200","Theolair-SR","Nuelin SA","Theobid Jr.","Theo-24","Uniphyllin continus","1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione","Theoclear L.A.-130","Xanthine, 1,3-dimethyl-","NSC 2066","Quibron","Purine-2,6(1H,3H)-dione, 1,3-dimethyl-","1,3-dimethyl-1H-purine-2,6(3H,7H)-dione","1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-","Dtxsid5021336","NSC-2066","Doxophylline metabolite m3","Aerolate jr","Dtxcid001336","Chebi:28177","Theoclear-100","NSC2066","Theophylline melting point standard","Constant T","Theoclear l.a.-260","Theobid Duracap","Somophyllin T","Theodur G","NSC-757346","Theo 24","SloPhyllin","SomophyllinT","ConstantT","Slo Phyllin","Theo Dur","Quibron TSR","ct, theo von","von ct, theo","Theophylline and dextrose 5% in plastic container","Theophylline in dextrose 5% in plastic container","Quibron T SR","Theo24","Theophylline 0.04% and dextrose 5% in plastic container","Theophylline 0.08% and dextrose 5% in plastic container","Theophylline 0.16% and dextrose 5% in plastic container","Theophylline 0.2% and dextrose 5% in plastic container","Theophylline 0.32% and dextrose 5% in plastic container","Theophylline 0.4% and dextrose 5% in plastic container","Senophylline","Nuelin sa-250","Theophylline,anhydrous","Anhydrous, Theophylline","Theophyllinate, Glycine","Glycinate, Theophylline Sodium","Sodium Glycinate, Theophylline","Theophylline anhydrous, choline","3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrate","200-385-7","1,3 Dimethylxanthine","1,3-Dimethylxanthine Monohydrate","C137DTR5RG","Theolix","Choledyl SA","Theo-11","Tefamin","Unifyl","Euphylline","Bronkotabs","1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione","Theo-Organidin","GS 2591A","X 115","Theal tabl.","Mfcd00079619","1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine","Theodur","CHEMBL190","Mls000069390","1,3-Dimethylxanthine;Theo-24","75448-53-2","Aerobin","Diffumal","Teonova","Theopek","Theospan","1,3-dimethyl-1H-purine-2,6(3H,9H)-dione","Ncgc00018117-07","Ncgc00018117-17","Mudrane","Pulmidur","Smr000058537","Theokin","Hylate","Bronchodid Duracap","1,3-dimethyl-1,3,7-trihydropurine-2,6-dione","49746-06-7","50857-74-4","1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-","1246816-25-0","Teocen 200","Elixophyllin(e)","Cas-58-55-9","Quibron-t","CCRIS 4729","HSDB 3399","Sr-01000075195","Einecs 200-385-7","Telbans","Physpa","Unii-0i55128jyk","AI3-50216","Unicontin CR","Theophylline CRS","4eoh","Aescin-IIA","Caffeine Impurity 6","Theophylline form II","theophylline solu-tion","component of Primatene","Xanthine,3-dimethyl-","Opera_ID_76","Spectrum_001038","2a3a","Prestwick0_000820","Prestwick0_000873","Prestwick1_000820","Prestwick1_000873","Prestwick2_000820","Prestwick2_000873","Prestwick3_000820","Prestwick3_000873","Spectrum2_000842","Spectrum3_000672","Spectrum4_000353","Spectrum5_001232","8-(2-Furyl)theophylline","Upcmld-dp123","component of Theo-Organidin","Ec 200-385-7","Schembl4915","Lopac0_000014","BSPBio_000719","BSPBio_000945","BSPBio_002363","component of Dicurin Procaine","GTPL413","KBioGR_000785","KBioSS_001518","Pentoxifylline EP Impurity F","Mls002152943","Mls002153487","Mls004491910","Mls006011970","Bidd:er0557","Bidd:gt0151","DivK1c_000203","Spectrum1500568","SPBio_000823","SPBio_002640","SPBio_002866","BPBio1_000791","BPBio1_001041","orb1309828","Schembl2136940","Schembl4435082","Schembl5711097","Schembl8312163","Schembl8595167","component of Tedral","Upcmld-dp123:001","BCBcMAP01_000071","BDBM10847","BDBM82053","component of Quibron","HMS500K05","HY-B0809R","KBio1_000203","KBio2_001518","KBio2_004086","KBio2_006654","KBio3_001583","component of Hecadrol","Ninds_000203","Theophylline, 1mg/ml in Methanol","HMS1921E03","HMS2089A06","HMS2092M05","HMS2233E16","HMS3259O06","HMS3369N14","Pharmakon1600-01500568","Albb-036665","component of Bronkotabs","HY-B0809","MSK10355","STR01537","Theophylline 1.0 mg/ml in Methanol","Theophylline, \u003e=99.0%","Tox21_110827","Tox21_202375","Tox21_300028","CCG-20301","EBC-13437","HB2849","NSC757346","Pdsp1_001018","Pdsp1_001234","Pdsp2_001002","Pdsp2_001218","STK397040","Akos000120961","Akos005434016","component of Quibron Plus","Tox21_110827_1","component of Quibron-T/SR","component of Theo-organdin","component of Theolair plus","CS-4158","DB00277","FT28196","NC00542","Purine-2,3H)-dione, 1,3-dimethyl-","Sdccgmls-0066620.p001","Sdccgsbi-0050003.p005","TN12345","Idi1_000203","Smp1_000291","component of Slo-phyllin GG","Ncgc00018117-01","Ncgc00018117-02","Ncgc00018117-03","Ncgc00018117-04","Ncgc00018117-05","Ncgc00018117-06","Ncgc00018117-08","Ncgc00018117-09","Ncgc00018117-10","Ncgc00018117-11","Ncgc00018117-12","Ncgc00018117-13","Ncgc00018117-14","Ncgc00018117-15","Ncgc00018117-16","Ncgc00018117-18","Ncgc00018117-19","Ncgc00018117-20","Ncgc00018117-23","Ncgc00018117-37","Ncgc00022112-03","Ncgc00022112-04","Ncgc00022112-05","Ncgc00022112-07","Ncgc00022112-08","Ncgc00022112-09","Ncgc00022112-10","Ncgc00022112-11","Ncgc00022112-12","Ncgc00254040-01","Ncgc00259924-01","Wln: t56 bm dn fnvnvj f1 h1","AC-20328","Nci60_001736","Smr003435989","ST024762","SY066799","Theophylline, anhydrous, \u003e=99%, powder","component of Primatene tablets","Purine,6(1H,3H)-dione, 1,3-dimethyl-","Sbi-0050003.p004","component of Mudrane GG elixir","DB-053224","Theophylline 100 microg/mL in Acetonitrile","Theophylline(Discontinued,See C4X-13306)","1H-Purine-2, 3,7-dihydro-1,3-dimethyl-","AB00052106","NS00010258","En300-21503","C07130","D00371","D85002","Dimenhydrinate impurity a","Pentoxifylline impurity c","Ab00052106-20","Ab00052106-22","Ab00052106-23","Ab00052106_24","Ab00052106_25","Ab00052106_26","1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","F095062","L000595","1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione #","Sr-01000075195-1","Sr-01000075195-3","Sr-01000075195-5","Brd-k97799481-001-02-0","Brd-k97799481-001-12-9","Brd-k97799481-001-16-0","Brd-k97799481-002-03-6","Brd-k97799481-205-01-9","Brd-k97799481-205-02-7","Brd-k97799481-230-01-7","F2173-0145","Z203045518","A3133d49-aab6-49a1-b60b-b5198f327d3f","Theophylline, British Pharmacopoeia (BP) Reference Standard","Theophylline, European Pharmacopoeia (EP) Reference Standard","Theophylline melting point standard, United States Pharmacopeia (USP) Reference Standard","Theophylline, Pharmaceutical Secondary Standard; Certified Reference Material","Theophylline;1,3-Dimethylxanthine; 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione","8061-56-1","Caffeine EP Impurity A; Dimenhydrinate EP Impurity A; Diprophylline EP Impurity B; Pentoxifylline EP Impurity C","InChI=1/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9","Theophylline melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material","Theophylline, certified reference material, United States Pharmacopeia (USP) Reference Standard"],"Biological Half-Life":"8 hours","CAS":"58-55-9","Chemical Classes":"Purines","ChemicalClasses":["xanthine"],"Chirality":"achiral","Color/Form":"White, crystalline alkaloid","Decomposition":"When heated to decomposition it emits toxic fumes of /nitrogen oxides/.","Density":"g/cm³ g/cm\u003csup\u003e3\u003c/sup\u003e","Drug Classes":["Breast Feeding","Lactation","Milk, Human","Anti-Asthmatic Agents","Bronchodilator Agents"],"Drug Indication":"For the treatment of the symptoms and reversible airflow obstruction associated with chronic asthma and other chronic lung diseases, such as emphysema and chronic bronchitis.","Drug Warnings":"When administered rectally as suppositories (dosage form no longer commercially available in the US), theophyllines have caused rectal irritation and inflammation. /Theophyllines/","Ecotoxicity Values":"LC50; Species: Streptocephalus proboscideus (Fairy Shrimp); Conditions: freshwater; Concentration: 2360 umol/L for 24 hr /97-\u003e99% purity/","EliminationHalfLife":"5 – 8 hours","Erowid Experience Reports":[],"Esters":[],"European Community (EC) Number":"200-385-7","FDA Pharmacological Classification":[{"Name":"FDA UNII","ReferenceNumber":49,"Value":{"StringWithMarkup":[{"String":"0I55128JYK"}]}},{"Name":"Active Moiety","ReferenceNumber":49,"Value":{"StringWithMarkup":[{"String":"THEOPHYLLINE ANHYDROUS"}]}},{"Name":"Pharmacological Classes","ReferenceNumber":49,"Value":{"StringWithMarkup":[{"String":"Established Pharmacologic Class [EPC] - Methylxanthine"}]}},{"Name":"Pharmacological Classes","ReferenceNumber":49,"Value":{"StringWithMarkup":[{"String":"Chemical Structure [CS] - Xanthines"}]}},{"Name":"FDA Pharmacology Summary","ReferenceNumber":49,"Value":{"StringWithMarkup":[{"Markup":[{"Extra":"CID-2153","Length":22,"Start":0,"Type":"PubChem Internal Link","URL":"https://pubchem.ncbi.nlm.nih.gov/compound/Theophylline%20anhydrous"}],"String":"Theophylline anhydrous is a Methylxanthine."}]}},{"Name":"Non-Proprietary Name","ReferenceNumber":230,"Value":{"StringWithMarkup":[{"String":"THEOPHYLLINE"}]}},{"Name":"Pharmacological Classes","ReferenceNumber":230,"Value":{"StringWithMarkup":[{"String":"Methylxanthine [EPC]; Xanthines [CS]"}]}},{"Name":"Non-Proprietary Name","ReferenceNumber":231,"Value":{"StringWithMarkup":[{"String":"THEOPHYLLINE ANHYDROUS"}]}},{"Name":"Pharmacological Classes","ReferenceNumber":231,"Value":{"StringWithMarkup":[{"String":"Methylxanthine [EPC]; Xanthines [CS]"}]}}],"Formating":[],"HMDB ID":"HMDB0001889","HeavyAtomCount":13,"Human Drugs":"Breast Feeding; Lactation; Milk, Human; Anti-Asthmatic Agents; Bronchodilator Agents","IUPACName":"1,3-dimethyl-7H-purine-2,6-dione","InChI":"InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)","InChIKey":"ZFXYFBGIUFBOJW-UHFFFAOYSA-N","Interactions":"Theophylline interacts with a wide variety of drugs. The interaction may be pharmacodynamic, i.e., alterations in the therapeutic response to theophylline or another drug or occurrence of adverse effects without a change in serum theophylline concentration. More frequently, however, the interaction is pharmacokinetic, i.e., the rate of theophylline clearance is altered by another drug resulting in increased or decreased serum theophylline concentrations. Theophylline only rarely alters the pharmacokinetics of other drugs. The drugs listed in Table have the potential to produce clinically significant pharmacodynamic or pharmacokinetic interactions with theophylline. The information in the \"Effect\" column of Table assumes that the interacting drug is being added to a steady-state theophylline regimen. If theophylline is being initiated in a patient who is already taking a drug that inhibits theophylline clearance (e.g., cimetidine, erythromycin), the dose of theophylline required to achieve a therapeutic serum theophylline concentration will be smaller. Conversely, if theophylline is being initiated in a patient who is already taking a drug that enhances theophylline clearance (e.g., rifampin), the dose of theophylline required to achieve a therapeutic serum theophylline concentration will be larger. Discontinuation of a concomitant drug that increases theophylline clearance will result in accumulation of theophylline to potentially toxic levels, unless the theophylline dose is appropriately reduced. Discontinuation of a concomitant drug that inhibits theophylline clearance will result in decreased serum theophylline concentrations, unless the theophylline dose is appropriately increased.","KEGG Entries":[{"Id":"D00371","Interactions":[{"Action":"inhibition","Target":"CYP1A2"},{"Action":"induction","Target":"CYP1A2"}],"Synonyms":["Theophylline","Elixophyllin","Quibron-t","Theo-24","Theodur G","Theolair","Uniphyl"]},{"Id":"D06103","Interactions":[{"Action":"inhibition","Target":"CYP1A2"},{"Action":"induction","Target":"CYP1A2"}],"Synonyms":["Theophylline","Theophylline monohydrate","Accurbron"]},{"Id":"D00371","Interactions":[{"Action":"inhibition","Target":"CYP1A2"},{"Action":"induction","Target":"CYP1A2"}],"Synonyms":["Theophylline","Elixophyllin","Quibron-t","Theo-24","Theodur G","Theolair","Uniphyl"]},{"Id":"D00371","Interactions":[{"Action":"inhibition","Target":"CYP1A2"},{"Action":"induction","Target":"CYP1A2"}],"Synonyms":["Theophylline","Elixophyllin","Quibron-t","Theo-24","Theodur G","Theolair","Uniphyl"]},{"Id":"D06103","Interactions":[{"Action":"inhibition","Target":"CYP1A2"},{"Action":"induction","Target":"CYP1A2"}],"Synonyms":["Theophylline","Theophylline monohydrate","Accurbron"]},{"Id":"D00371","Interactions":[{"Action":"inhibition","Target":"CYP1A2"},{"Action":"induction","Target":"CYP1A2"}],"Synonyms":["Theophylline","Elixophyllin","Quibron-t","Theo-24","Theodur G","Theolair","Uniphyl"]}],"MeSH Headers":[{"Id":"M0021287","Link":"https://id.nlm.nih.gov/mesh/M0021287.html","Name":"Theophylline","Ref":300},{"Id":"M0021285","Link":"https://id.nlm.nih.gov/mesh/M0021285.html","Name":"Euphylong","Ref":302},{"Id":"M0021291","Link":"https://id.nlm.nih.gov/mesh/M0021291.html","Name":"Slo-Phyllin","Ref":303},{"Id":"M0353807","Link":"https://id.nlm.nih.gov/mesh/M0353807.html","Name":"Accurbron","Ref":304},{"Id":"M0353810","Link":"https://id.nlm.nih.gov/mesh/M0353810.html","Name":"Aerolate","Ref":305},{"Id":"M0353812","Link":"https://id.nlm.nih.gov/mesh/M0353812.html","Name":"Aquaphyllin","Ref":306},{"Id":"M0353813","Link":"https://id.nlm.nih.gov/mesh/M0353813.html","Name":"Armophylline","Ref":307},{"Id":"M0362250","Link":"https://id.nlm.nih.gov/mesh/M0362250.html","Name":"Sustaire","Ref":308},{"Id":"M0362251","Link":"https://id.nlm.nih.gov/mesh/M0362251.html","Name":"Somophyllin-T","Ref":309},{"Id":"M0362255","Link":"https://id.nlm.nih.gov/mesh/M0362255.html","Name":"Elixophyllin","Ref":310},{"Id":"M0362256","Link":"https://id.nlm.nih.gov/mesh/M0362256.html","Name":"Constant-T","Ref":311},{"Id":"M0362257","Link":"https://id.nlm.nih.gov/mesh/M0362257.html","Name":"Bronkodyl","Ref":312},{"Id":"M0362261","Link":"https://id.nlm.nih.gov/mesh/M0362261.html","Name":"Theolair","Ref":313},{"Id":"M0362263","Link":"https://id.nlm.nih.gov/mesh/M0362263.html","Name":"Theocin","Ref":314},{"Id":"M0362264","Link":"https://id.nlm.nih.gov/mesh/M0362264.html","Name":"Theobid","Ref":315},{"Id":"M0362265","Link":"https://id.nlm.nih.gov/mesh/M0362265.html","Name":"Theo-24","Ref":316},{"Id":"M0362267","Link":"https://id.nlm.nih.gov/mesh/M0362267.html","Name":"Uniphyl","Ref":317},{"Id":"M0362268","Link":"https://id.nlm.nih.gov/mesh/M0362268.html","Name":"Theovent","Ref":318},{"Id":"M0552770","Link":"https://id.nlm.nih.gov/mesh/M0552770.html","Name":"Uniphyllin","Ref":319},{"Id":"M0587176","Link":"https://id.nlm.nih.gov/mesh/M0587176.html","Name":"Theophylline Anhydrous","Ref":320},{"Id":"DescTree","Link":"https://www.nlm.nih.gov/mesh/meshhome.html","Name":"MeSH Tree","Ref":321},{"Id":"PubMed from MeSH","Link":"https://www.nlm.nih.gov/mesh/meshhome.html","Name":null,"Ref":360},{"Id":"M0002975","Link":"https://id.nlm.nih.gov/mesh/M0002975.html","Name":"Bronchodilator Agents","Ref":361},{"Id":"M0016659","Link":"https://id.nlm.nih.gov/mesh/M0016659.html","Name":"Phosphodiesterase Inhibitors","Ref":362},{"Id":"M0022559","Link":"https://id.nlm.nih.gov/mesh/M0022559.html","Name":"Vasodilator Agents","Ref":363},{"Id":"M0545362","Link":"https://id.nlm.nih.gov/mesh/M0545362.html","Name":"Purinergic P1 Receptor Antagonists","Ref":364}],"MeSH Pharmacological Classification":[{"Id":"M0002975","Link":"https://id.nlm.nih.gov/mesh/M0002975.html","Name":"Bronchodilator Agent","Ref":361},{"Id":"M0016659","Link":"https://id.nlm.nih.gov/mesh/M0016659.html","Name":"Phosphodiesterase Inhibitor","Ref":362},{"Id":"M0022559","Link":"https://id.nlm.nih.gov/mesh/M0022559.html","Name":"Vasodilator Agent","Ref":363},{"Id":"M0545362","Link":"https://id.nlm.nih.gov/mesh/M0545362.html","Name":"Purinergic P1 Receptor Antagonist","Ref":364}],"Mechanism of Action":"Theophylline relaxes the smooth muscle of the bronchial airways and pulmonary blood vessels and reduces airway responsiveness to histamine, methacholine, adenosine, and allergen. Theophylline competitively inhibits type III and type IV phosphodiesterase (PDE), the enzyme responsible for breaking down cyclic AMP in smooth muscle cells, possibly resulting in bronchodilation. Theophylline also binds to the adenosine A2B receptor and blocks adenosine mediated bronchoconstriction. In inflammatory states, theophylline activates histone deacetylase to prevent transcription of inflammatory genes that require the acetylation of histones for transcription to begin.","Melting Point":"522 to 525 °F (NTP, 1992)","Metabolism/Metabolites":"Hepatic. Biotransformation takes place through demethylation to 1-methylxanthine and 3-methylxanthine and hydroxylation to 1,3-dimethyluric acid. 1-methylxanthine is further hydroxylated, by xanthine oxidase, to 1-methyluric acid. About 6% of a theophylline dose is N-methylated to caffeine. Caffeine and 3-methylxanthine are the only theophylline metabolites with pharmacologic activity.","MolecularFormula":"C\u003csub\u003e7\u003c/sub\u003eH\u003csub\u003e8\u003c/sub\u003eN\u003csub\u003e4\u003c/sub\u003eO\u003csub\u003e2\u003c/sub\u003e","MolecularWeight":"180.16 g/mol","Non-Human Toxicity Values":"LD50 Mouse oral  332 mg/kg bw","Odor":"Odorless","Pharmacodynamics":"Theophylline, an xanthine derivative chemically similar to caffeine and theobromine, is used to treat asthma and bronchospasm. Theophylline has two distinct actions in the airways of patients with reversible (asthmatic) obstruction; smooth muscle relaxation (i.e., bronchodilation) and suppression of the response of the airways to stimuli (i.e., non-bronchodilator prophylactic effects).","Physical Description":"Theophylline is an odorless white crystalline powder. Odorless. Bitter taste. (NTP, 1992)","PubChemId":2153,"Records":{"UNII":{"Impurities":["1,3-dimethyluric acid","theophyllidine","caffeine","3-methylxanthine","etofylline","6-amino-5-formamido-1,3-dimethyluracil"]}},"RefChem":"6299","RefCount":3,"RefCur":"","References":[{"Name":"Wikipedia","Urls":[{"Link":"https://en.wikipedia.org/wiki/Theophylline","Name":"Theophylline","Sub":false}]},{"Name":"Wikidata","Urls":[{"Link":"https://www.wikidata.org/wiki/Q407308","Name":"Theophylline","Sub":false}]},{"Name":"DrugBank","Urls":[{"Link":"https://go.drugbank.com/DB00277","Name":"Theophylline","Sub":false}]},{"Name":"PubChem","Urls":[{"Link":"https://pubchem.ncbi.nlm.nih.gov/compound/2153","Name":"Theophylline","Sub":false}]},{"Name":"Common Chemistry","Urls":[{"Link":"https://commonchemistry.cas.org/detail?cas_rn=58-55-9","Name":"Theophylline","Sub":false}]},{"Name":"HMDB","Urls":[{"Link":"https://hmdb.ca/metabolites/HMDB0001889","Name":"Theophylline","Sub":false}]},{"Name":"KEGG","Urls":[{"Link":"https://www.kegg.jp/entry/C07130","Name":"Theophylline","Sub":false}]},{"Name":"UNII","Urls":[{"Link":"https://gsrs.ncats.nih.gov/ginas/app/ui/substances/0I55128JYK","Name":"Theophylline","Sub":false}]},{"Name":"EPA DSSTox","Urls":[{"Link":"https://comptox.epa.gov/dashboard/chemical/details/DTXSID5021336","Name":"Theophylline","Sub":false}]}],"Refs":["National Center for Biotechnology Information. PubChem Compound Summary for CID 2153, theophylline. Accessed May 5, 2026. \u003ca href=https://pubchem.ncbi.nlm.nih.gov/compound/2153\u003ehttps://pubchem.ncbi.nlm.nih.gov/compound/2153\u003c/a\u003e","U.S. Food and Drug Administration; National Center for Advancing Translational Sciences. Theophylline. UNII: 0I55128JYK. Global Substance Registration System. Accessed May 5, 2026. \u003ca href=https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0I55128JYK\u003ehttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/0I55128JYK\u003c/a\u003e"],"SMILES":"CN1C2=C(C(=O)N(C1=O)C)NC=N2","SaltData":[],"Salts":[],"Scheduling":[{"gov":"Australia","ref":[],"schedule":"S4 substance"},{"gov":"Canada","ref":[],"schedule":"prescription only substance"},{"gov":"United Kingdom","ref":[],"schedule":"P substance"},{"gov":"United States","ref":[],"schedule":"prescription only substance"}],"Solubility":"1 to 5 mg/mL at 70.7 °F (NTP, 1992)","Stability/Shelf Life":"Stable under recommended storage conditions.","StereoisomerData":[],"Stereoisomers":[],"Structure":"\u003csvg xmlns=\"http://www.w3.org/2000/svg\" preserveAspectRatio=\"none\" style=\"display:block\" viewBox=\"0 0 66.951 64.951\"\u003e\u003crect width=\"100%\" height=\"100%\" fill=\"#fff\"/\u003e\u003cdesc\u003eGenerated by the Chemistry Development Kit (http://github.com/cdk)\u003c/desc\u003e\u003cg fill=\"#3050f8\" stroke=\"#000\" stroke-linecap=\"round\" stroke-linejoin=\"round\" stroke-width=\".7\"\u003e\u003cpath fill=\"#fff\" stroke=\"none\" d=\"M0 0h67v65H0z\"/\u003e\u003cg class=\"mol\"\u003e\u003cpath d=\"M29.224 64.041v-11.39M32.378 46.982l10.054-5.801\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M42.432 41.181v-15.24M39.994 39.773V27.349\"/\u003e\u003c/g\u003e\u003cpath d=\"m42.432 25.941-13.208-7.62\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M28.005 19.025V7.002M30.443 19.025V7.002\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"M28.005 7.002v6.011M30.443 7.002v6.011\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"M29.224 18.321 19.17 24.122M16.016 29.791v11.39M26.071 46.982l-10.055-5.801\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"M17.236 41.885 6.707 47.966M16.016 39.773 5.487 45.854\"/\u003e\u003cpath stroke=\"#ff0d0d\" d=\"m6.707 47.966 5.265-3.041M5.487 45.854l5.265-3.04\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"M12.863 24.12 2.819 18.319M42.432 25.941l11.255-3.62M59.566 24.85l6.336 8.711\" class=\"bond\"/\u003e\u003cg class=\"bond\"\u003e\u003cpath d=\"m59.566 42.273 6.336-8.712M57.594 40.838l5.293-7.277\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"m59.566 42.273 3.168-4.356M57.594 40.838 60.24 37.2\" class=\"hi\"/\u003e\u003c/g\u003e\u003cpath d=\"m42.432 41.181 11.255 3.621\" class=\"bond\"/\u003e\u003cpath stroke=\"none\" d=\"M31.165 51.251h-.72l-2.62-4.066h-.03l.03.595q.024.357.024.732v2.739h-.566v-4.9h.715l2.607 4.055h.03l-.018-.328-.024-.476q-.006-.262-.006-.482v-2.769h.578z\" class=\"atom\"/\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M31.483 3.078q0 .756-.256 1.328-.256.565-.756.881-.5.315-1.244.315-.756 0-1.262-.315-.506-.316-.756-.887-.244-.572-.244-1.334 0-.75.244-1.309.25-.566.756-.881T29.239.56q.732 0 1.232.316.5.309.756.875.256.565.256 1.327m-3.863 0q0 .923.387 1.459.393.53 1.22.53.84 0 1.221-.53.387-.536.387-1.459 0-.929-.387-1.452-.381-.524-1.209-.524-.833 0-1.226.524-.393.523-.393 1.452\" class=\"atom\"/\u003e\u003cpath stroke=\"none\" d=\"M17.957 28.391h-.72l-2.62-4.066h-.03l.03.595q.024.357.024.732v2.739h-.566v-4.9h.715l2.607 4.055h.03l-.018-.328-.024-.476q-.006-.262-.006-.482v-2.769h.578z\" class=\"atom\"/\u003e\u003cpath fill=\"#ff0d0d\" stroke=\"none\" d=\"M5.078 48.8q0 .756-.256 1.328-.256.565-.756.881-.5.315-1.244.315-.756 0-1.262-.315-.506-.316-.756-.887Q.56 49.55.56 48.788q0-.75.244-1.309.25-.566.756-.881t1.274-.316q.732 0 1.232.316.5.309.756.875.256.565.256 1.327m-3.863 0q0 .923.387 1.459.393.53 1.22.53.84 0 1.221-.53.387-.536.387-1.459 0-.928-.387-1.452-.381-.524-1.209-.524-.833 0-1.226.524T1.215 48.8\" class=\"atom\"/\u003e\u003cg stroke=\"none\" class=\"atom\"\u003e\u003cpath d=\"M58.902 23.717h-.721l-2.619-4.066h-.03l.03.596q.024.357.024.732v2.738h-.566v-4.899h.715l2.607 4.054h.03l-.018-.328-.024-.476q-.006-.262-.006-.482v-2.768h.578zM58.765 18.256h-.619V15.97h-2.513v2.286h-.613v-4.899h.613v2.071h2.513v-2.071h.619z\"/\u003e\u003c/g\u003e\u003cpath stroke=\"none\" d=\"M58.902 48.304h-.721l-2.619-4.066h-.03l.03.596q.024.357.024.732v2.738h-.566v-4.899h.715l2.607 4.054h.03l-.018-.327-.024-.477q-.006-.261-.006-.482v-2.768h.578z\" class=\"atom\"/\u003e\u003cpath stroke=\"#3050f8\" d=\"M29.224 52.651v5.695M32.378 46.982l5.027-2.901M19.17 24.122l5.027-2.901M16.016 29.791v5.695M26.071 46.982l-5.027-2.901M12.863 24.12l-5.022-2.9M53.687 22.321l-5.628 1.81M53.687 22.321l-5.628 1.81M59.566 24.85l3.168 4.356M59.566 24.85l3.168 4.356M53.687 44.802l-5.628-1.81\" class=\"hi\"/\u003e\u003c/g\u003e\u003c/g\u003e\u003c/svg\u003e","Taste":"Bitter","Therapeutic Uses":"Bronchodilator Agents; Phosphodiesterase Inhibitors; Purinergic P1 Receptor Antagonists; Vasodilator Agents","Title":"Theophylline","UNII":"0I55128JYK","Wikidata":"Q407308","Wikipedia":"Theophylline","XLogP":0,"pH":"A saturated solution in water is faintly acid."}