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Theophylline
SpectraBase Compound ID 7oFTOtVeiU8
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)
InChIKey ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Mol Weight 180.17 g/mol
Molecular Formula C7H8N4O2
Exact Mass 180.064726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BtExWkLk5bC
Name 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-
CAS Registry Number 58-55-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H8N4O2
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)
InChIKey ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Molecular Weight 180.167 g/mol
SMILES [nH]1c2N(C(N(C(c2nc1)=O)C)=O)C
SPLASH splash10-001i-9800000000-19831ecf466697dbd300
Synonyms 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3-Dimethyl-3,9-dihydro-1H-purine-2,6-dione 1,3-Dimethyl-7H-purine-2,6-dione 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione Accurbron Acet-theocin Aerolate Aerolate III Armophylline ASMAX Theophylline Austyn Bronkodyl Bronkodyl SR Choledyl SA Component of Bronkotabs Component of Dicurin procaine Component of Hecadrol Component of Primatene Component of Primatene tablets Component of Quibron Component of Quibron plus Component of Quibron-t/sr Component of Slo-phyllin GG Component of Tedral Component of Theo-organdin Component of Theo-organidin Component of Theolair plus Constant-T Diphyllin Doraphyllin Duraphyl Elixex Elixicon Elixophyllin Euphylline Euphylong Lanophyllin Liquophylline Maphylline Medaphyllin Nuelin Optiphyllin Parkophyllin Pseudotheophylline Quibron T/SR Quibron-T Respbid Slo-Bid Slo-phyllin Solosin Somophyllin-df Somophyllin-T Spophyllin retard Sustaire Synophylate Synophylate-L.A. Cenules Tefamin Teofilina Teofyllamin Teolair Teonova Theacitin Theal tabl. Theal tablets Theo-11 THEO-24 Theo-Dur Theo-dur-sprinkle Theobid Theochron Theocin Theoclair-sr Theoclear 80 Theoclear LA Theocontin Theodel Theofol Theograd Theolair Theolix Theona P Theophyl-225 Theophyline Theophyllin Theophylline, anhydrous Theostat 80 Theotard Theovent Unifyl Uniphyl Uniphyllin Xanthine, 1,3-dimethyl- Xanthium Xantivent X 115 AI3-50216 CCRIS 4729 EINECS 200-385-7 GS 2591A HSDB 3399 NSC 2066
Wiley ID 1508391