| 2D Structure | |
| CID | 2153 |
| IUPAC Name | 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) |
| InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| Canonical SMILES | None |
| Isomeric SMILES | None |
| Molecular Formula | C7H8N4O2 |
| Molecular Weight | 180.16 |
| synonyms | ['theophylline', '58-55-9', '1,3-Dimethylxanthine', 'Elixophyllin', 'Theophyllin', 'Theolair', 'Nuelin', 'Theophylline anhydrous', 'Elixophylline', 'Lanophyllin', 'Pseudotheophylline', 'Respbid', 'Solosin', 'Theocin', 'Theo-dur', 'Liquophylline', 'Optiphyllin', 'Parkophyllin', 'Theofol', 'Theograd', 'Slo-phyllin', 'Armophylline', 'Slo-bid', 'Doraphyllin', 'Elixicon', 'Maphylline', 'Medaphyllin', 'Teofyllamin', 'Theacitin', 'Theocontin', 'Theovent', 'Uniphyllin', 'Xantivent', 'Austyn', 'Elixex', 'Teolair', 'Uniphyl', 'Acet-theocin', 'Accurbron', 'Aerolate III', 'Bronkodyl', 'Euphylong', 'Theophyl-225', 'Aerolate', 'Duraphyl', 'Theobid', 'Quibron T/SR', '1,3-dimethyl-7H-purine-2,6-dione', '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', '0I55128JYK', 'Theophylline melting point standard', 'NSC-2066', 'Doxophylline metabolite m3', 'Theophylline [USP]', 'AEROLATE JR', 'DTXCID001336', 'CHEBI:28177', 'THEOCLEAR-100', 'NSC2066', 'Constant T', 'THEOCLEAR L.A.-260', 'Theobid Duracap', 'Somophyllin T', 'Theodur G', 'Theophylline (USP)', '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', 'Theophylline (anhydrous)', 'Senophylline', 'Nuelin sa-250', 'Theophylline,anhydrous', 'Anhydrous, Theophylline', 'RefChem:6299', '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', 'MFCD00079619', 'X 115', 'Theal tabl.', '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', 'Theophylline (1,3-dimethylxanthine)', 'Teofilina [Polish]', 'NCGC00018117-07', 'NCGC00018117-17', 'Mudrane', 'Pulmidur', 'SMR000058537', 'Theokin', 'Hylate', 'Bronchodid Duracap', '1,3-dimethyl-1,3,7-trihydropurine-2,6-dione', '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', 'Theolair (TN)', 'Elixophyllin (TN)', 'Uniphyl (TN)', 'Quibron-t (TN)', 'Theodur G (TN)', 'CCRIS 4729', 'HSDB 3399', 'SR-01000075195', 'EINECS 200-385-7', 'Theo-24 (TN)', 'Telbans', 'Physpa', 'UNII-0I55128JYK', 'AI3-50216', 'Unicontin CR', 'Theophylline CRS', '4eoh', 'Aescin-IIA', '58-55-9 (ANHYDROUS)', 'Caffeine Impurity 6', 'Theophylline form II', 'theophylline solu-tion', 'component of Primatene', 'Xanthine,3-dimethyl-', 'Opera_ID_76', 'Spectrum_001038', 'Theophylline (JP18)', '2a3a', 'Theophylline (Standard)', 'Prestwick0_000820', 'Prestwick0_000873', 'Prestwick1_000820', 'Prestwick1_000873', 'Prestwick2_000820', 'Prestwick2_000873', 'Prestwick3_000820', 'Prestwick3_000873', 'Spectrum2_000842', 'Spectrum3_000672', 'Spectrum4_000353', 'Spectrum5_001232', 'THEOPHYLLINE [MI]', '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', 'THEOPHYLLINE [USP-RS]', 'THEOPHYLLINE [WHO-DD]', 'SPBio_000823', 'SPBio_002640', 'SPBio_002866', 'BPBio1_000791', 'BPBio1_001041', 'orb1309828', 'SCHEMBL2136940', 'SCHEMBL4435082', 'SCHEMBL5711097', 'SCHEMBL8312163', 'SCHEMBL8595167', 'component of Tedral (Salt/Mix)', 'UPCMLD-DP123:001', 'BCBcMAP01_000071', 'BDBM10847', 'BDBM82053', 'component of Quibron (Salt/Mix)', 'HMS500K05', 'HY-B0809R', 'KBio1_000203', 'KBio2_001518', 'KBio2_004086', 'KBio2_006654', 'KBio3_001583', 'component of Hecadrol (Salt/Mix)', 'NINDS_000203', 'Theophylline, 1mg/ml in Methanol', 'HMS1921E03', 'HMS2089A06', 'HMS2092M05', 'HMS2233E16', 'HMS3259O06', 'HMS3369N14', 'Pharmakon1600-01500568', 'component of Primatene (Salt/Mix)', 'ALBB-036665', 'component of Bronkotabs (Salt/Mix)', 'HY-B0809', 'MSK10355', 'STR01537', 'Theophylline 1.0 mg/ml in Methanol', 'Theophylline, >=99.0% (HPLC)', 'Tox21_110827', 'Tox21_202375', 'Tox21_300028', 'CCG-20301', 'EBC-13437', 'HB2849', 'NSC757346', 'PDSP1_001018', 'PDSP1_001234', 'PDSP2_001002', 'PDSP2_001218', 'STK397040', 'THEOPHYLLINE ANHYDROUS [HSDB]', 'THEOPHYLLINE,ANHYDROUS [VANDF]', 'AKOS000120961', 'AKOS005434016', 'component of Quibron Plus (Salt/Mix)', 'Tox21_110827_1', 'component of Quibron-T/SR (Salt/Mix)', 'component of Theo-organdin (Salt/Mix)', 'component of Theolair plus (Salt/Mix)', 'CS-4158', 'DB00277', 'FT28196', 'NC00542', 'Purine-2,3H)-dione, 1,3-dimethyl-', 'SDCCGMLS-0066620.P001', 'SDCCGSBI-0050003.P005', 'component of Theo-Organidin (Salt/Mix)', 'IDI1_000203', 'SMP1_000291', 'component of Slo-phyllin GG (Salt/Mix)', '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', 'component of Dicurin Procaine (Salt/Mix)', 'NCI60_001736', 'SMR003435989', 'ST024762', 'SY066799', 'Theophylline, anhydrous, >=99%, powder', 'component of Primatene tablets (Salt/Mix)', 'Purine,6(1H,3H)-dione, 1,3-dimethyl-', 'SBI-0050003.P004', 'component of Mudrane GG elixir (Salt/Mix)', '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 [EP IMPURITY]', 'PENTOXIFYLLINE IMPURITY C [EP IMPURITY]', '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', 'Q407308', '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'] |
From Pubchem