theophylline

chemical compound

Wikidata entity: Q407308

C₇H₈N₄O₂ (P274)




Wikimedia Commons category is Theophylline



Quantities

P2067mass180.065
P2101melting point268

P233 canonical SMILES String CN1C2=C(C(=O)N(C1=O)C)NC=N2 ???
P373 Commons category String Theophylline ???
P1889 different from ... Q3733837 (etofylline) etofylline
P1889 different from ... Q105527763 (Austyn) Austyn
P703 found in taxon ... Q42385 (cacao) cacao
P703 found in taxon ... Q47685 (Coffea arabica) Coffea arabica
P703 found in taxon ... Q41350 (Citrus × paradisi) Citrus × paradisi
P703 found in taxon ... Q80024 (pomelo) pomelo
P703 found in taxon ... Q101815 (Camellia sinensis) Camellia sinensis
P703 found in taxon ... Q117068 (yerba mate) yerba mate
P703 found in taxon ... Q157885 (Festuca ovina) Festuca ovina
P703 found in taxon ... Q161093 (Catharanthus roseus) Catharanthus roseus
P703 found in taxon ... Q161791 (Festuca pratensis) Festuca pratensis
P703 found in taxon ... Q209089 (guarana) guarana
P703 found in taxon ... Q1144414 (Theobroma grandiflorum) Theobroma grandiflorum
P703 found in taxon ... Q1956924 (Amphimedon viridis) Amphimedon viridis
P703 found in taxon ... Q10936833 (Camellia taliensis) Camellia taliensis
P703 found in taxon ... Q11126720 (Camellia ptilophylla) Camellia ptilophylla
P703 found in taxon ... Q15381679 (Ilex argentina) Ilex argentina
P703 found in taxon ... Q15381882 (Ilex brevicuspis) Ilex brevicuspis
P703 found in taxon ... Q15381981 (Ilex dumosa) Ilex dumosa
P703 found in taxon ... Q15383151 (Ilex pseudobuxus) Ilex pseudobuxus
P703 found in taxon ... Q21004587 (Citrus grandis) Citrus grandis
P703 found in taxon ... Q15383645 (Ilex microdonta) Ilex microdonta
P703 found in taxon ... Q15390799 (Camellia irrawadiensis) Camellia irrawadiensis
P703 found in taxon ... Q15393341 (Ilex theezans) Ilex theezans
P1552 has characteristic ... Q1517187 (bitterness) bitterness
P527 has part(s) ... Q627 (nitrogen) nitrogen
P527 has part(s) ... Q629 (oxygen) oxygen
P527 has part(s) ... Q623 (carbon) carbon
P366 has use ... Q12140 (medication) medication
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P1987 MCN code String 2939.59.10 ???
P2175 medical condition treated ... Q35869 (asthma) asthma
P2175 medical condition treated ... Q188605 (pulmonary emphysema) pulmonary emphysema
P2175 medical condition treated ... Q1900400 (acute bronchitis) acute bronchitis
P361 part of ... Q4741993 (ambuphylline) ambuphylline
P129 physically interacts with ... Q3062781 (Adenosine A1 receptor) Adenosine A1 receptor
P129 physically interacts with ... Q21116154 (Adenosine A3 receptor) Adenosine A3 receptor
P129 physically interacts with ... Q21116162 (Adenosine A2a receptor) Adenosine A2a receptor
P129 physically interacts with ... Q21116164 (Adenosine A2b receptor) Adenosine A2b receptor
P129 physically interacts with ... Q21498709 (Adenosine A2b receptor) Adenosine A2b receptor
P3489 pregnancy category ... Q3679189 (Australian pregnancy category A) Australian pregnancy category A
P3489 pregnancy category ... Q28123617 (US pregnancy category C) US pregnancy category C
P279 subclass of ... Q2118866 (purine alkaloid) purine alkaloid
P279 subclass of ... Q4291748 (methylxanthine) methylxanthine
P279 subclass of ... Q49922434 (xanthines) xanthines
P2868 subject has role ... Q418251 (phosphodiesterase inhibitor) phosphodiesterase inhibitor
P2868 subject has role ... Q927234 (bronchodilator) bronchodilator
P2868 subject has role ... Q4008956 (vasodilator agent) vasodilator agent
P2868 subject has role ... Q50430421 (purinergic P1 receptor antagonists) purinergic P1 receptor antagonists

External Ids
P8061AGROVOC IDc_16089
P267ATC codeR03DA04
P508BNCF Thesaurus ID3551
P11931CAMEO Chemicals ID21099
P231CAS Registry Number58-55-9
P6852CCDC Number128707
P683ChEBI ID28177
P592ChEMBL IDCHEMBL190
P661ChemSpider ID2068
P3073CosIng number38578
P11375CSD RefcodeBAPLOT01
P9272DeCS ID14184
P1036Dewey Decimal Classification615.72
P1036Dewey Decimal Classification616.200461
P1036Dewey Decimal Classification615.7
P715DrugBank IDDB00277
P11198DrugCentral ID2620
P8494DSSTOX compound identifierDTXCID001336
P3117DSSTox substance IDDTXSID5021336
P232EC number200-385-7
P2566ECHA Substance Infocard ID100.000.350
P4746Elhuyar ZTH ID031074
P1417Encyclopædia Britannica Online IDscience/theophylline
P646Freebase ID/m/0gzk2
P1578Gmelin number51226
P227GND ID4059781-7
P12385Gran Enciclopèdia Catalana IDteofillina
P1296Gran Enciclopèdia Catalana ID (former scheme)0145641
P595Guide to Pharmacology Ligand ID413
P2062HSDB ID3399
P2057Human Metabolome Database IDHMDB0001889
P5220ICSC ID0678
P234InChIInChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
P235InChIKeyZFXYFBGIUFBOJW-UHFFFAOYSA-N
P665KEGG IDC07130
P2064KNApSAcK IDC00001510
P244Library of Congress authority IDsh85134710
P6689MassBank accession IDMSBNK-Keio_Univ-KO001908
P6689MassBank accession IDMSBNK-Keio_Univ-KO002408
P6689MassBank accession IDMSBNK-Keio_Univ-KO002409
P6689MassBank accession IDMSBNK-Keio_Univ-KO002410
P6689MassBank accession IDMSBNK-Keio_Univ-KO002411
P6689MassBank accession IDMSBNK-Keio_Univ-KO002412
P6689MassBank accession IDMSBNK-Keio_Univ-KO004132
P6689MassBank accession IDMSBNK-Keio_Univ-KO004133
P6689MassBank accession IDMSBNK-Keio_Univ-KO004134
P6689MassBank accession IDMSBNK-Keio_Univ-KO004135
P6689MassBank accession IDMSBNK-Keio_Univ-KO004136
P6689MassBank accession IDMSBNK-Metabolon-MT000080
P6689MassBank accession IDMSBNK-Univ_Connecticut-CO000046
P6689MassBank accession IDMSBNK-Univ_Connecticut-CO000047
P6689MassBank accession IDMSBNK-Univ_Connecticut-CO000048
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P6689MassBank accession IDMSBNK-Univ_Connecticut-CO000050
P6689MassBank accession IDMSBNK-Waters-WA000305
P6689MassBank accession IDMSBNK-Waters-WA000306
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P6689MassBank accession IDMSBNK-Waters-WA001345
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P6689MassBank accession IDMSBNK-Eawag-EQ363204
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P6689MassBank accession IDMSBNK-Eawag-EQ363206
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P6689MassBank accession IDMSBNK-Eawag-EQ363209
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P6689MassBank accession IDMSBNK-Eawag-EQ363252
P6689MassBank accession IDMSBNK-Eawag-EQ363253
P6689MassBank accession IDMSBNK-Eawag-EQ363254
P6689MassBank accession IDMSBNK-Eawag-EQ363255
P6689MassBank accession IDMSBNK-Eawag-EQ363256
P6689MassBank accession IDMSBNK-Eawag-EQ363257
P6689MassBank accession IDMSBNK-Eawag-EQ363258
P6689MassBank accession IDMSBNK-Eawag-EQ363259
P6689MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP002818
P6689MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP003188
P6689MassBank accession IDMSBNK-Fac_Eng_Univ_Tokyo-JP011292
P6689MassBank accession IDMSBNK-Keio_Univ-KO000310
P6689MassBank accession IDMSBNK-Keio_Univ-KO000311
P6689MassBank accession IDMSBNK-Keio_Univ-KO000312
P6689MassBank accession IDMSBNK-Keio_Univ-KO000313
P6689MassBank accession IDMSBNK-Keio_Univ-KO000314
P6689MassBank accession IDMSBNK-Keio_Univ-KO001904
P6689MassBank accession IDMSBNK-Keio_Univ-KO001905
P6689MassBank accession IDMSBNK-Keio_Univ-KO001906
P6689MassBank accession IDMSBNK-Keio_Univ-KO001907
P10245MedlinePlus drug identifiera681006
P6694MeSH concept IDM0587176
P486MeSH descriptor IDD013806
P672MeSH tree codeD03.132.960.751
P672MeSH tree codeD03.633.100.759.758.824.751
P6366Microsoft Academic ID (discontinued)2778095195
P2004NALT ID65717
P8189National Library of Israel J9U ID987007534160605171
P2115NDF-RT IDN0000146469
P9405NMRShiftDB structure ID30095493
P2840NSC number2066
P10283OpenAlex IDC2778095195
P3636PDB ligand IDTEP
P638PDB structure ID1EHT
P638PDB structure ID4EOH
P638PDB structure ID3ROX
P638PDB structure ID1O15
P638PDB structure ID2A3A
P11199Probes And Drugs IDPD001734
P662PubChem CID2153
P3417Quora topic IDTheophylline
P1579Reaxys registry number13463
P3345RxNorm CUI91178
P5076Römpp online IDRD-20-01178
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P4964SPLASHsplash10-01b9-9400000000-8fb0254f10315caae865
P4964SPLASHsplash10-01ba-9400000000-0063418efb7894950690
P4964SPLASHsplash10-01ba-9400000000-80ba3b8ee5b9451e879c
P4964SPLASHsplash10-01ba-9500000000-fadd3d94aac67bb5574b
P4964SPLASHsplash10-01q9-1900000000-c1f0683d1932a6c393f8
P4964SPLASHsplash10-01t9-0900000000-538be683ed21f29f4a88
P4964SPLASHsplash10-01t9-1900000000-56ab7cee005ec3b6dd24
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P4964SPLASHsplash10-03di-0900000000-8b5971012ee0e8469cd2
P5082Store medisinske leksikon IDteofyllin
P2877SureChEMBL ID4915
P3365Treccani IDteofillina
P8121UM-BBD compound IDc1152
P2892UMLS CUIC0304441
P11089UniChem compound ID116390
P652UNII0I55128JYK
P11143WikiProjectMed IDTheophylline
P8814WordNet 3.1 Synset ID04426450-n
P13591Yale LUX IDconcept/611b5422-1431-4a71-8434-dff3a0f760d9
P679ZVG number31810

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