Theophylline monohydrate

Base Information

• Chemical Name: Theophylline monohydrate
• CAS No.: 5967-84-0
• Molecular Formula: C₇H₈N₄O₂*H₂O
• Molecular Weight: 198.181
• Hs Code.: 2933990090
• European Community (EC) Number: 611-861-2
• UNII: C137DTR5RG
• DSSTox Substance ID: DTXSID40208361
• Wikidata: Q47495785
• NCI Thesaurus Code: C872
• RXCUI: 10438
• ChEMBL ID: CHEMBL1355736
• Mol file: 5967-84-0.mol

Synonyms:1,3 Dimethylxanthine;1,3-Dimethylxanthine;3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione;Accurbron;Aerobin;Aerolate;Afonilum Retard;Anhydrous, Theophylline;Aquaphyllin;Armophylline;Bronchoparat;Bronkodyl;Constant T;Constant-T;ConstantT;ct, theo von;Elixophyllin;Euphylong;Glycinate, Theophylline Sodium;Glycine Theophyllinate;Lodrane;Monospan;Nuelin;Nuelin S.A.;Quibron T SR;Quibron T-SR;Quibron TSR;Slo Phyllin;Slo-Phyllin;SloPhyllin;Sodium Glycinate, Theophylline;Somophyllin T;Somophyllin-T;SomophyllinT;Sustaire;Synophylate;Theo 24;Theo Dur;theo von ct;Theo-24;Theo-Dur;Theo24;Theobid;Theocin;Theoconfin Continuous;Theodur;Theolair;Theolix;Theon;Theonite;Theopek;Theophyllinate, Glycine;Theophylline;Theophylline Anhydrous;Theophylline Sodium Glycinate;Theospan;Theostat;Theovent;Uniphyl;Uniphyllin;Uniphylline;von ct, theo

Chemical Property of Theophylline monohydrate

Chemical Property:

• Vapor Pressure: 1.96E-08mmHg at 25°C
• Melting Point: 270-274°C
• Boiling Point: 454.1 °C at 760 mmHg
• Flash Point: 228.4 °C
• PSA: 81.91000
• LogP: -1.10400
• Solubility.: Slightly soluble in water, sparingly soluble in ethanol (96 per cent). It dissolves in solutions of alkali hydroxides, in ammonia and in mineral acids.
• Water Solubility.: Soluble in water (8 g/L at 20°C).
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 198.07529019
• Heavy Atom Count: 14
• Complexity: 267

Purity/Quality:

98%,99%, ^*data from raw suppliers

Theophyllinemonohydrate 98 ^*data from reagent suppliers

Safty Information:

• Statements: 23/24/25
• Safety Statements: 22-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.O
• Recent EU Clinical Trials: Theophylline Effect in Acute Ischemic Stroke Trial
• Uses: Theophylline monohydrate is a methylxanthine drug used in therapy for respiratory diseases such as COPD and asthma Bronchodilatator;Mastocyte degranulation inhibitor in vitro