Guaifylline

Base Information

• Chemical Name: Guaifylline
• CAS No.: 5634-38-8
• Deprecated CAS: 5696-14-0
• Molecular Formula: C17H22N4O6
• Molecular Weight: 378.3798
• European Community (EC) Number: 227-078-0
• UNII: 23LFU6H8JD
• Wikidata: Q27253759
• NCI Thesaurus Code: C175079
• Mol file: 5634-38-8.mol

Synonyms:Guaifylline;Guaithylline;Guaifyllinum;Eclabron;Guaithylline [USAN];Guaifilina;5634-38-8;Guaifylline (INN);Guaifylline [INN];Guaifenesin / theophylline;Guaifilina [INN-Spanish];Guaifyllinum [INN-Latin];UNII-23LFU6H8JD;23LFU6H8JD;EINECS 227-078-0;Guaithylline (USAN);Theophylline compound with 3-(o-methoxyphenoxy)-1,2-propanediol;Guaithylline [USAN:INN];SCHEMBL20358;C10H14O4.C7H8N4O2;C7H8N4O2.C10H14O4;C7-H8-N4-O2.C10-H14-O4;D04374;Q27253759

Chemical Property of Guaifylline

Chemical Property:

• Vapor Pressure: 1.04E-05mmHg at 25°C
• Boiling Point: 356.8°Cat760mmHg
• Flash Point: 169.6°C
• PSA: 131.60000
• Density: g/cm³
• LogP: -0.61250
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 378.15393443
• Heavy Atom Count: 27
• Complexity: 418

Purity/Quality:

99% ^*data from raw suppliers

GUAITHYLLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC1=CC=CC=C1OCC(CO)O
• Uses: Bronchodilator; expectorant.

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