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theophylline

Properties

Image

Occurences in reactions

MNX_ID

MNXM2291

	#reac
in my sandbox	0
in MNXref (generic)	14
in models (compartimentalized)	0

formula

C₇H₈N₄O₂

charge

mass

180.06473

reference

chebi:28177

InChIKey

ZFXYFBGIUFBOJW-UHFFFAOYSA-N

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)

SMILES

Cn1c(=O)c2[nH]cnc2n(C)c1=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:28177 chebi:28177	theophylline 1,3-Dimethylxanthine 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3-dimethyl-7H-purine-2,6-dione Elixophyllin Respbid THEOPHYLLINE Theo-Dur Theolair Theophyllin Theophylline Uniphyl theophylline anhydrous
envipath:...84b73130b7e8 envipathM:...84b73130b7e8	Theophylline
kegg.drug:D00371 keggD:D00371	Theophylline (JP18) Elixophyllin (TN) Quibron-t (TN) Theo-24 (TN) Theodur G (TN) Theolair (TN) Uniphyl (TN)
hmdb:HMDB0001889	Theophylline 1,3 Dimethylxanthine 1,3-Dimethyl-7H-purine-2,6-dione 1,3-Dimethylxanthine 1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione Accurbron Acet-theocin Aerobin Aerolate Aerolate III Aerolate SR Afonilum retard Aminophylline Anhydrous, theophylline Aquaphyllin Armophylline Asbron Asmax Austyn Bronchoparat Bronkodyl Bronkodyl SR CT Arzneimittel brand OF theophylline sodium glycinate CT, Theo von CT-Arzneimittel brand OF theophylline sodium glycinate Choledyl sa Constant T Constant-T ConstantT Diphyllin Doraphyllin Duraphyl Dyspne-inhal Elixex Elixicon Elixomin Elixophyllin Elixophyllin SR Elixophylline Euphylline Euphylong Fameasan brand OF theophylline sodium glycinate Fujisawa brand OF theophylline sodium glycinate Glycinate, theophylline sodium Glycine theophyllinate Labid Lanophyllin Liquophylline Liquorice Lodrane Maphylline Medaphyllin Monospan Mundipharma brand OF theophylline sodium glycinate Nuelin Nuelin s.a. Optiphyllin Parkophyllin Pseudotheophylline Quibron T SR Quibron T-SR Quibron TSR Quibron t/sr Quibron-t Quibron-t/sr Respbid Slo phyllin Slo-bid Slo-phyllin SloPhyllin Sodium glycinate, theophylline Solosin Somophyllin T Somophyllin-CRT Somophyllin-DF Somophyllin-T SomophyllinT Spophyllin retard Sustaire Synophylate Synophylate-l.a. cenules T-Phyl Tefamin Teofilina Teofyllamin Teolair Theacitin Theal tabl. Theal tablets Theo 24 Theo dur Theo von CT Theo-24 Theo-dur Theo-dur-sprinkle Theo24 Theobid Theobid jr. Theochron Theocin Theoclair-SR Theoclear 80 Theoclear l.a.-130 Theoclear la Theoclear-200 Theoclear-80 Theoconfin continuous Theocontin Theodel Theodur Theodur g Theofol Theograd Theolair Theolair-SR Theolix Theolixir Theon Theona p Theonite Theopek Theophyl Theophyl-225 Theophyl-SR Theophyline Theophyllin Theophyllinate, glycine Theophylline anhydrous Theophylline sodium glycinate Theophylline-SR Theospan Theostat Theostat 80 Theovent Uni-dur Unifyl Uniphyl Uniphyllin Uniphylline Von CT, theo Xanthium Xantivent theophylline
kegg.compound:C07130 keggC:C07130	Theophylline 1,3-Dimethylxanthine
seed.compound:cpd04399 seedM:cpd04399	Theophylline 1,3-Dimethylxanthine 1,3-dimethylxanthine theophylline
envipath:...1d622d7c1e15 envipathM:...1d622d7c1e15	compound 0062100
metacyc.compound:CPD-12479 metacycM:CPD-12479	theophylline 1,3-dimethylxanthine
hmdb:HMDB01889 chebi:26940 chebi:45950 chebi:9523 keggC:M_C07130 keggD:M_D00371 seedM:M_cpd04399	secondary/obsolete/fantasy identifier