Metescufylline

Base Information

• Chemical Name: Metescufylline
• CAS No.: 15518-82-8
• Molecular Formula: C25H31N5O8
• Molecular Weight: 529.547
• European Community (EC) Number: 239-550-3
• UNII: I542T3H3T2
• DSSTox Substance ID: DTXSID80165848
• Wikidata: Q27280460
• NCI Thesaurus Code: C66109
• Mol file: 15518-82-8.mol

Synonyms:Metescufylline;Methescufylline;Veinartan;Metescufyllinum [Latin];Theophylline methesculetol;Metescufylline [INN:DCF];15518-82-8;Metescufilina;Metescufyllinum;Metescufilina [Spanish];Methesculetol theophylline;Etamiphylline methesculetol;Dietamiphylline methylescutol;Metescufilina [INN-Spanish];Metescufyllinum [INN-Latin];EINECS 239-550-3;UNII-I542T3H3T2;I542T3H3T2;Methyl-4-esculetol ethanoate de diethylamino-ethyl theophylline [French];7-(2-(Diethylamino)ethyl)theophylline ((7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-6-yl)oxy)acetate;7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;2-(7-hydroxy-4-methyl-2-oxochromen-6-yl)oxyacetic acid;Methyl-4-esculetol ethanoate de diethylamino-ethyl theophylline;Metescufyllin;Metescufylline [DCF:INN];METESCUFYLLINE [MI];METESCUFYLLINE [INN];METESCUFYLLINE [MART.];SCHEMBL1643141;METESCUFYLLINE [WHO-DD];DTXSID80165848;C13H21N5O2.C12H10O6;C13-H21-N5-O2.C12-H10-O6;Q27280460

Chemical Property of Metescufylline

Chemical Property:

• Vapor Pressure: 1.19E-08mmHg at 25°C
• Melting Point: 124°
• Boiling Point: 460.2°Cat760mmHg
• Flash Point: 232.1°C
• PSA: 162.03000
• Density: g/cm³
• LogP: 1.04590
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 529.21726296
• Heavy Atom Count: 38
• Complexity: 773

Purity/Quality:

99% ^*data from raw suppliers

METESCUFYLLINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C.CC1=CC(=O)OC2=CC(=C(C=C12)OCC(=O)O)O