WHC is still in active development. Read this to understand our approach.
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isomerdesign

Theophylline

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pubchem

Theophylline

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drugmap

Theophylline

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drugmap

Theophylline

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wiki

Theophylline

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Data

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)

Sinónimos: SBI-0050003.P004,Quibron-T/SR,MLS006011970,Prestwick3_000873,component of Dicurin Procaine, Theophylline-[8-3H,Doxophylline metabolite m3,Theophylline 100 microg/mL in Acetonitrile,Theovent,IDI1_000203,NCGC00022112-11,AI3-50216,Theocin,PDSP1_001018,BRD-K97799481-001-12-9, Cetraphylline,HMS2089A06,Prestwick0_000820,Slo-phyllin,FT-0675140,AB00052106_26,Teofilina [Polish],NCGC00022112-08,D00371,Purine-2,6(1H,3H)-dione, 1,3-dimethyl-,Theofol,Theokin,GS 2591A,Xanthine,3-dimethyl-,Somophyllin-CRT,Theo-24 (TN),Teofyllamin,T-Phyl,MLS002153487,Telbans,CHEBI:28177,component of Primatene (Salt/Mix),Theophylline, Pharmaceutical Secondary Standard; Certified Reference Material,Theophylline-SR, Theodur G (TN),1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione #,NCGC00022112-09,Theophylline anhydrous,Parkophyllin,AB00052106,Theoclear 80,X 115,Bronkodyl,CAS-58-55-9,STK397040, Theobid Duracap,NCGC00018117-11,HMS500K05,DivK1c_000203,SDCCGMLS-0066620.P001,Aerolate,Theophylline (JP17), Pseudotheophylline,Elixophyllin(e),Theoclear-200,NCGC00022112-03,Bronchodid Duracap,Theophylline-[1,3-15N2,2-13C],Nuelin SA, Somophyllin CRT,Accurbron,Sustaire,1,3-Dimethylxanthine;Theo-24,Theophyline,A900445,BCP30664,1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-,NCGC00018117-09,NCGC00018117-06,GTPL413,Synophylate,50857-74-4,component of Mudrane GG elixir (Salt/Mix),Spophyllin retard,Theochron,Xantivent,Austyn,NCGC00254040-01,1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, mo,PENTOXIFYLLINE IMPURITY C [EP IMPURITY],BPBio1_001041,MLS000069390,PDSP1_001234,SMR003435989,Physpa,SCHEMBL4915,1,3-Dimethyl-6-hydroxy-1,3-dihydro-2H-purin-2-one,BCBcMAP01_000071,Theophylline, anhydrous, >=99%, powder,Asmax,NCGC00018117-19, Liquophylline,Theal tablets,Theophylline Anhydrous, USP,Theophylline 1.0 mg/ml in Methanol,Purine-2,3H)-dione, 1,3-dimethyl-,SPECTRUM1500568,BIDD:GT0151,Quibron T/SR,DSSTox_CID_1336,Theophyl-SR,Theal tabl.,KBio1_000203,BIDD:ER0557,Liquophylline,Theodel,Theophylline, anhydrous,theophylline solu-tion,Aerolate III,HMS2092M05,CCG-20301,NCGC00018117-03,Lopac0_000014, Elixophyllin(e),component of Quibron-T/SR (Salt/Mix),UNII-0I55128JYK,Theo-Dur-Sprinkle,1,3-dimethyl-1H-purine-2,6(3H,7H)-dione,MFCD00079619,Theobid Jr., 1,3-Dimethylxanthine, Theo-Dur-Sprinkle,NSC 2066,Elixophyllin SR,KBioSS_001518,NSC2066,KBio2_001518,Spectrum_001038,L000595,THEOPHYLLINE [MI],Optiphyllin,Unicontin CR,Prestwick0_000873,Prestwick1_000820,Pulmidur,THEOPHYLLINE [WHO-DD],Theophylline, >=99.0% (HPLC),SR-01000075195-1,1,3-Dimethylxanthine,Theospan,Teocen 200,NCI60_001736,Euphylline,Theophylline Anhydrous,(S),Bronkodyl SR,NCGC00018117-18,NCGC00018117-10,Duraphyl,Pro-vent,Spectrum3_000672,NCGC00018117-04,Theophyllin,Theo-dur,NSC757346,CHEMBL190,UPCMLD-DP123:001,1.3-Dimethylxanthin, 1H-purine-2,6-dione,BSPBio_002363,component of Slo-phyllin GG (Salt/Mix),PMID28870136-Compound-48,component of Quibron (Salt/Mix),component of Theo-Organidin (Salt/Mix),FT-0631259,1,3-dimethyl-1,3,7-trihydropurine-2,6-dione,EINECS 200-385-7,WLN: T56 BM DN FNVNVJ F1 H1, Theo-Organidin,Aerobin,Bronkotabs, Elixophyllin SR,Q-201819,Xanthine, 1,3-dimethyl-,BDBM10847,3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione,DSSTox_RID_76090,1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione,NCGC00018117-05,SMR000058537,HMS1921E03, Telbans DrySyrup,Z203045518,component of Quibron Plus (Salt/Mix),Theoclear LA,Spectrum2_000842,Tox21_202375,Pseudotheophylline,C07130,theophylline,1H-Purine-2, 3,7-dihydro-1,3-dimethyl-,component of Hecadrol (Salt/Mix),MLS002152943,NCGC00018117-13,4eoh,KBio2_006654, Teofilina [Polish],1,3-dimethyl-7H-purine-2,6-dione,PDSP2_001002,NCGC00018117-15,Theophyl-225,BSPBio_000945,THEOPHYLLINE,ANHYDROUS [VANDF],1,3-dimethyl-1H-purine-2,6(3H,9H)-dione,DB-053224,Elixicon,NSC-757346,Theophylline melting point standard,SDCCGSBI-0050003.P005,DB00277,Theolix,LaBID,(8alpha, 9S)-10,11-Dihydro-6'-methoxycinchonan-9-amine trihydrochloride, min. 90%,Theoclear L.A.-130,Uniphyllin,HMS2233E16,Theostat 80,Elixophyllin,HMS3259O06,Medaphyllin,Spectrum5_001232,DTXSID5021336,THEOPHYLLINE ANHYDROUS [HSDB],Prestwick1_000873,NCGC00018117-20, Dimethylxanthine, Pulmo-Timelets,Theo-24;1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione ;1,3-Dimethylxanthine;1,3-dimethyl-xanthin,NCGC00018117-08,CCRIS 4729,component of Primatene tablets (Salt/Mix),Theophylline melting point standard, United States Pharmacopeia (USP) Reference Standard,Theophylline melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material,THEOPHYLLINE [USP-RS],AB00052106-23,F2173-0145,A3133D49-AAB6-49A1-B60B-B5198F327D3F,BPBio1_000791,KBio3_001583,1,3-Dimethyl-7H-purine-2,6-dione,CS-4158,1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione,NCGC00022112-10,component of Primatene, Chronophyllin,STR01537, Theodur Dry Syrup,Maphylline,N1442,SCHEMBL8312163,component of Theo-Organidin, Theoclear-200,SPBio_002640,1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-,Theophylline (1,3-dimethylxanthine),Lanophyllin,SMP1_000291,Mudrane, Afonilum Retard,AB00052106-22,Theophylline, British Pharmacopoeia (BP) Reference Standard,Bronchoretard,AKOS000120961,Elixomin,Quibron-T,AC-20328, Theal tablets,EN300-21503,SR-01000075195-3,Somophyllin-t, Somophyllin-CRT,PDSP2_001218, Bronchodid Duracap,Prestwick2_000820,Theophylline solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material,NCGC00022112-12,SPBio_000823,NCGC00022112-07,Elixophyllin (TN),Teolair,Theophylline, certified reference material, United States Pharmacopeia (USP) Reference Standard,Slo-bid,Uniphyl (TN),Purine,6(1H,3H)-dione, 1,3-dimethyl-,BDBM82053,1246816-25-0,Theona P,MLS004491910,Theophylline form II,Teonova,BRD-K97799481-002-03-6,Prestwick3_000820,DIMENHYDRINATE IMPURITY A [EP IMPURITY],component of Theo-organdin (Salt/Mix),Teofillina,Theophylline-[1,3-15N2,13C],Uniphyl,NINDS_000203,Prestwick2_000873,component of Tedral (Salt/Mix),75448-53-2, Somophyllin-DF,component of Bronkotabs (Salt/Mix),Theophyl, Quibron-t (TN),DSSTox_GSID_21336,NCGC00018117-01, Spophyllin retard, 1,3 Dimethylxanthine,NC00542,Elixex,LASMA,Theograd, Elixophyllin (TN),Euphylong,Tox21_110827_1,Theolair (TN),NCGC00018117-07,NCGC00018117-37,Theobid,AB00052106_25, Theoclear L.A.-130,D85002,2a3a,1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydropurine,Somophyllin-DF,Tox21_300028, Uniphyllin continus,HMS3369N14,Theopek,Solosin, Theolair (TN),Armophylline,Theophylline,anhydrous,UPCMLD-DP123,Diffumal,NCGC00259924-01,0I55128JYK,NCGC00018117-02,Quadrinal,NCGC00018117-12,Q407308,T0179,1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione,Theo-11,Theolair,KBioGR_000785,Respbid,Quibron-t (TN),Theodur,Aerolate SR,Theodur G (TN), Elixophylline,HY-B0809,Theo-24,KBio2_004086,Nuelin,Aescin-IIA,Acet-theocin, Theophylline-SR, Theophylline (JP15),Uniphyllin continus,Theocontin,Unifyl,NCGC00018117-23,component of Dicurin Procaine (Salt/Mix),NSC-2066,AKOS005434016,58-55-9 (ANHYDROUS),Hylate,AB00052106-20,Opera_ID_76,Doraphyllin,SR-01000075195-5,Theolixir,Uni-Dur,Synophylate-L.A. Cenules,EC 200-385-7,Pharmakon1600-01500568,NCGC00022112-04,NCGC00018117-14,Tox21_110827,NCGC00018117-16,Constant-T,BSPBio_000719,NCGC00022112-05,Theacitin,NCGC00018117-17,Teofilina,Tefamin,Aquaphyllin,Theoclear-80,ZINC18043251,Spectrum4_000353,58-55-9,Elixophylline,Theophylline, European Pharmacopoeia (EP) Reference Standard,BRD-K97799481-001-02-0,SPBio_002866,8-(2-Furyl)theophylline,SR-01000075195,Theo-Organidin,Theophylline,AB00052106_24,Choledyl SA,Theoclair-SR,component of Theolair plus (Salt/Mix),HSDB 3399


Estimated data

Solubilidad: -1.443 (log(S) in mol/L prediction using SolTranNet)

Addictivity Prediction: 45.4% (prediction based on www.mdpi.com)

Similitudes

The following is a set of comparisons to understand the properties of this compound. This is still higly experimental and is still under active development. Please refer to our series of blog posts to fully understand our approach and its limitations. This information is for informational purposes only and should not be construed as medical advice.