THEOPHYLLINE Next Previous

ChEMBL ID CHEMBL190
PubChem CID 2153
DrugBank Accession Number DB00277
ClinicalTrials THEOPHYLLINE
Molecular Formula C7H8N4O2
Inchikey ZFXYFBGIUFBOJW-UHFFFAOYSA-N
Cas Number 58-55-9

Smiles
Cn1c(=O)c2nc[nH]c2n(C)c1=O

Synonyms
ACCURBRON, AEROLATE, AEROLATE III, AEROLATE JR, AEROLATE SR, AQUAPHYLLIN, BRONKODYL, DIMETHYLXANTHINE, DURAPHYL, ELIXICON, ELIXOMIN, Elixophyllin, ELIXOPHYLLIN SR, LABID, LANOPHYLLIN, LASMA, NSC-2066, NUELIN, NUELIN SA, NUELIN SA-250, PRO-VENT, Quibron, QUIBRON-T, QUIBRON-T/SR, Respbid, SLO-BID, SLO-PHYLLIN, SOMOPHYLLIN-CRT, SOMOPHYLLIN-T, SUSTAIRE, Theo-24, THEOBID, THEOBID JR., Theochron, Theocin, THEOCLEAR-100, THEOCLEAR-200, THEOCLEAR-80, THEOCLEAR L.A.-130, THEOCLEAR L.A.-260, THEO-DUR, THEOGRAD, THEOLAIR, Theolair-sr, THEOLIXIR, THEOPHYL, THEOPHYL-225, Theophylline, THEOPHYLLINE, THEOPHYLLINE MELTING POINT STANDARD, THEOPHYLLINE MONOHYDRATE, THEOPHYLLINE-SR, THEOPHYL-SR, THEOVENT, T-PHYL, UNI-DUR, Uniphyl, UNIPHYLLIN CONTINUS

Libraries
O'Brien, ScreenWell

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 0
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 180.17
Rotatable Bonds 0
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP -1.04
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