PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Theophylline
PCNDIDT0051
Pubchem CID : 2153
Molecular formula: C7H8N4O2

Molecular weight : 180.160

Canonical SMILES : CN1C2=C(C(=O)N(C1=O)C)NC=N2

Synonymes : theophylline|58-55-9|1,3-Dimethylxanthine|Elixophyllin|Theophylline anhydrous|Theophyllin|Theolair|Nuelin|Respbid|Theocin|Elixophylline|Lanophyllin|Pseudotheophylline|Solosin|Theovent|Uniphyl|Slo-phyllin|Theo-dur|Armophylline|Liquophylline|Parkophyllin|Accurbron|Aerolate|Bronkodyl|Doraphyllin|Elixicon|Maphylline|Medaphyllin|Optiphyllin|Teofyllamin|Theocontin|Theograd|Uniphyllin|Xantivent|Elixex|Teolair|Theobid|Theofol|Theolix|Acet-theocin|Slo-bid|Aerolate III|Euphylong|Synophylate|Theacitin|Theophyl-225|Duraphyl|Sustaire|Austyn|Somophyllin-t|Constant-T|Teofilina|Theochron|Asmax|Quibron T/SR|Theal tablets|1,3-dimethyl-7H-purine-2,6-dione|Theophylline, anhydrous|Bronkodyl SR|Theoclair-SR|Theoclear LA|Quibron-T|Spophyllin retard|Theophyline|Theoclear 80|Theodur|Theostat 80|Theo-11|Theo-24|Somophyllin-DF|3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione|Choledyl SA|Synophylate-L.A. Cenules|Theo-Dur-Sprinkle|Cetraphylline|Aerobin|Etheophyl|Theodel|Theopek|Theospan|LaBID|Aquaphyllin|Elixophyllin SR|Theophylline-SR|Pro-vent|Somophyllin-CRT|Theona P|Chronophyllin|Diffumal|Duraphyllin|Egifilin|Pulmidur|Theoclear-200|Theolixir|Theostat|Elixomin|Physpan|Teonova|Theophyl|Unifyl|LASMA|Constant T|Aerolate SR|Theophyl-SR|Uni-Dur|Theoclear-80|Quibron-T/SR|T-Phyl|GS 2591A|Euphylline|Theoclear L.A.-130|Teofilina [Polish]|Uniphylline|Afonilm|Bilordyl|Bronkotabs|Mudrane|Talotren|Teosona|Theokin|Theonite|Theotard|Xanthine, 1,3-dimethyl-|1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione|Hylate|Afonilum Retard|Theobid Duracap|Theo-Organidin|NSC 2066|Theobid Jr.|Nuelin SA|Bronchodid Duracap|C7H8N4O2|Uniphyllin continus|Quibron T-SR|X 115|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-|Labophylline|Dimethylxanthine|Teocen 200|1,3 Dimethylxanthine|CCRIS 4729|1,3-dimethyl-1H-purine-2,6(3H,7H)-dione|1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione|HSDB 3399|Elixophyllin(e)|Doxophylline metabolite m3|Theodur G|Theophylline melting point standard|Theal tabl.|NSC-2066|EINECS 200-385-7|Nuelin S.A|Purine-2,6(1H,3H)-dione, 1,3-dimethyl-|Theolair (TN)|Elixophyllin (TN)|Theo 24|Uniphyl (TN)|Afonilum|Asmalix|Respicur|Theoclear|Theodrip|Theoplus|Unilong|Quibron-t (TN)|Respid|SloPhyllin|SomophyllinT|Tesona|UNII-0I55128JYK|ConstantT|Theodur G (TN)|Theophylline [USP]|Theophylline,anhydrous|DTXSID5021336|Slo Phyllin|CHEBI:28177|theo von ct|Quibron T|Theo-Nite|AI3-50216|Theo Dur|Quibron TSR|ct, theo von|von ct, theo|0I55128JYK|Quibron T SR|Telb-DS|Theo-DS|1,3-dimethyl-1H-purine-2,6(3H,9H)-dione|1246816-25-0|Nuelin S.A.|CHEMBL190|Theo-24 (TN)|Theo24|NSC-757346|throphylline|THEOBID JR|MLS000069390|DTXCID001336|1,3-Dimethylxanthine;Theo-24|Theophylline-1,3-15N2,13C|NSC2066|EC 200-385-7|58-55-9 (ANHYDROUS)|Theophylline (1,3-dimethylxanthine)|1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine|Theophylline (USP)|Theophylline-1,3-15N2-2-13C|NCGC00018117-07|NCGC00018117-17|SMR000058537|Somophyllin T|75448-53-2|THEOPHYLLINE (USP-RS)|THEOPHYLLINE [USP-RS]|1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-|THEOPHYLLINE (II)|Bronchoretard|THEOPHYLLINE (IARC)|Pulmo-Timelets|Somophyllin CRT|CAS-58-55-9|50857-74-4|THEOPHYLLINE (EP IMPURITY)|Theoconfin Continuous|Glycine Theophyllinate|THEOPHYLLINE (USP MONOGRAPH)|DIMENHYDRINATE IMPURITY A (EP IMPURITY)|DIMENHYDRINATE IMPURITY A [EP IMPURITY]|PENTOXIFYLLINE IMPURITY C (EP IMPURITY)|PENTOXIFYLLINE IMPURITY C [EP IMPURITY]|Anhydrous, Theophylline|NSC 757346|SR-01000075195|CAFFEINE IMPURITY A (EP IMPURITY)|DICURIN PROCAINE COMPONENT THEOPHYLLINE|DIPROPHYLLINE IMPURITY B (EP IMPURITY)|Brochoretard|Liquoplylline|Apnecut|Duraphy|Insanovin|Telbans|THEOPHYLLINE MONOHYDRATE (EP MONOGRAPH)|Physpa|Unidur|theophyllin-|THEOPHYLLINE COMPONENT OF DICURIN PROCAINE|MERSALYL-THEOPHYLLINE COMPONENT THEOPHYLLINE|Unicontin CR|CAFFEINE MONOHYDRATE IMPURITY A (EP IMPURITY)|4eoh|Aescin-IIA|Controfilina 200|1,3-dimetilxantina|13-Dimethylxanthine|MFCD00079619|Theophylline form II|Theophylline (8CI)|theophylline solu-tion|component of Primatene|Theophylline-[8-3H|Xanthine,3-dimethyl-|Opera_ID_76|Spectrum_001038|Theophylline (JP15)|Theophylline (JP17)|2a3a|Theophylline (anhydrous)|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|D0F8RA|UPCMLD-DP123|component of Theo-Organidin|SCHEMBL4915|Theophylline Anhydrous,(S)|1,3-dimethyl-1,3,7-trihydropurine-2,6-dione|Theophylline Anhydrous, USP|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 [WHO-DD]|SPBio_000823|SPBio_002640|SPBio_002866|BPBio1_000791|BPBio1_001041|SCHEMBL8312163|DIMENHYDRINATE IMPURITY A|component of Tedral (Salt/Mix)|UPCMLD-DP123:001|BCBcMAP01_000071|BDBM10847|BDBM82053|component of Quibron (Salt/Mix)|HMS500K05|KBio1_000203|KBio2_001518|KBio2_004086|KBio2_006654|KBio3_001583|component of Hecadrol (Salt/Mix)|NINDS_000203|HMS1921E03|HMS2089A06|HMS2092M05|HMS2233E16|HMS3259O06|HMS3369N14|Pharmakon1600-01500568|component of Primatene (Salt/Mix)|BCP30664|component of Bronkotabs (Salt/Mix)|HY-B0809|STR01537|Theophylline 1.0 mg/ml in Methanol|Theophylline, >=99.0% (HPLC)|Tox21_110827|Tox21_202375|Tox21_300028|CCG-20301|HB2849|LS-241|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|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|49746-06-7|AC-20328|component of Dicurin Procaine (Salt/Mix)|NCI60_001736|SMR003435989|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)|Theophylline 100 microg/mL in Acetonitrile|1H-Purine-2, 3,7-dihydro-1,3-dimethyl-|AB00052106|FT-0631259|FT-0675140|T0179|EN300-21503|aminophylline|choline theophyllinate|guaifylline|C07130|D00371|D85002|AB00052106-20|AB00052106-22|AB00052106-23|AB00052106_24|AB00052106_25|AB00052106_26|1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione|3,7-dihydro-1,3-dimethyl-1H- purine-2,6-dione|A900445|L000595|Q407308|1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione #|1H-purina-2,6-diona, 3,7-dihidro-1,3-dimetil-|1H-purina-2,6-diona, 3,9-dihidro-1,3-dimetil-|1H-Purine-26-dione37-dihydro-13-dimethyl-(9CI)|Q-201819|SR-01000075195-1|SR-01000075195-3|SR-01000075195-5|1,3-Dimethyl-6-hydroxy-1,3-dihydro-2H-purin-2-one|BRD-K97799481-001-02-0|BRD-K97799481-001-12-9|BRD-K97799481-002-03-6|1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, mo|F2173-0145|Z203045518|3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrate|A3133D49-AAB6-49A1-B60B-B5198F327D3F|Theophylline, British Pharmacopoeia (BP) Reference Standard|Theophylline, European Pharmacopoeia (EP) Reference Standard|(8alpha, 9S)-10,11-Dihydro-6'-methoxycinchonan-9-amine trihydrochloride, min. 90%|Theophylline melting point standard, United States Pharmacopeia (USP) Reference Standard|Theophylline, Pharmaceutical Secondary Standard; Certified Reference Material|Theo-24;1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione ;1,3-Dimethylxanthine;1,3-dimethyl-xanthin|Theophylline melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material|Theophylline, certified reference material, United States Pharmacopeia (USP) Reference Standard

Structure
3D structure 2D structure
2153
Predicted properties (NCBI Pubchem)

Physicochemical Properties